A0A075BJP7_DROME Loading...

Nanos

AlphaFold DB , UniProt , Accession A0A075BJP7, Species DROME (Drosophila melanogaster, Fruit fly), Gene nos, Length 347 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P38Very low34.8Very low168 Ų168146.1 Ų146.1100%1.09180%0.798SS**  090.4024.2-1.4000110.7
2S32.8Very low34.6Very low108 Ų108147.7 Ų147.776%0.75580%0.803SS**  60.5130.382.866.40000113.1
3L34.8Very low34.9Very low161 Ų161148.8 Ų148.884%0.84380%0.8SS**  cis-168.2162.42.8-103.2167.6000106.1
4N33.3Very low34.8Very low117 Ų117149.3 Ų149.363%0.62680%0.802SS**  cis-155.7-172.1-1.7-164.718.3000110.9
5Q34.9Very low35.2Very low152 Ų152148.1 Ų148.171%0.7180%0.796SS**  trans-35.4167.2152-61.9163.1-21.200115.7
6T34.4Very low35.1Very low123 Ų123152.3 Ų152.376%0.75581%0.805SS**  cis-162.2152.624.8-20.50000110.4
7G37.1Very low35Very low73 Ų73149.4 Ų149.475%0.75380%0.8SS**  trans-84.3138160.900000111.8
8K33.8Very low35Very low197 Ų197146 Ų14686%0.85780%0.796SS**  trans-148.4124.4160.2-106.9177-176.31780110
9I37.6Very low34.8Very low155 Ų155149.8 Ų149.880%0.79581%0.805SS**  trans-70.9132.2171.4-65.7169.3000108
10F32.4Very low35Very low192 Ų192151 Ų15184%0.84280%0.804SS**  trans-134.9119.5158.2-116.4-89.3000109.1
11Q33.9Very low35.3Very low161 Ų161148 Ų14875%0.75280%0.802SS**  trans-74.5138.4166.7-65.9172.4-4.500108.2
12L32.7Very low35.4Very low165 Ų165152.2 Ų152.286%0.86480%0.796SS**  trans-131.3146.8156.7-99.5167000108.9
13Q38.4Very low35.4Very low162 Ų162151 Ų15176%0.75780%0.8SS**  trans-111.296.3-151.3-179.7105.816.600110.9N15Q13-N15 PolarHBondContact O-N 2.81Å
14D33Very low35.4Very low156 Ų156146.8 Ų146.883%0.83480%0.796SS**  trans-105.270.8174.7-74.1-51.6000112.6F16D14-F16 PolarHBondContact O-N 3.28Å
15N40.5Very low35.6Very low131 Ų131149.1 Ų149.170%0.70181%0.807SS**  trans1390.7137-153.9-9000118Q13Q13-N15 PolarHBondContact O-N 2.81Å
16F33.4Very low36Very low215 Ų215149.2 Ų149.294%0.94381%0.812SS**  trans-133.794.9157.5-106.9-89.2000109.7D14D14-F16 PolarHBondContact O-N 3.28Å
17S34.9Very low36.6Very low103 Ų103150.4 Ų150.472%0.7281%0.813SS**  trans-109137.5173.3-75.30000111.1
18A33.4Very low36.8Very low89 Ų89155 Ų15574%0.73682%0.819SS**  trans-68.9137.4-171.700000113.8H20A18-H20 PolarHBondContact O-N 3.19Å
19F32.4Very low36.6Very low218 Ų218148.4 Ų148.496%0.95681%0.807SS**  trans-91.887.1160.4-94.8-88.4000110.2
20H38.6Very low36.6Very low173 Ų173148.2 Ų148.280%0.80181%0.807SS**  trans-97.7138.4161-94.3-94.6000110.5A18A18-H20 PolarHBondContact O-N 3.19Å
21A40.8Very low36.7Very low90 Ų90146.1 Ų146.174%0.74480%0.8SS**  trans45.6108.9153.700000119.4
22R40.5Very low36.9Very low256 Ų256145.6 Ų145.697%0.96680%0.802SS**  trans-133.484.1144-78.5-154.3165.1-152.9-6112.4
23G32.7Very low37.2Very low82 Ų82146.6 Ų146.685%0.84581%0.805SS**  trans-89.2146.6139.100000108.4
24G33.9Very low37.1Very low73 Ų73148.6 Ų148.675%0.75381%0.807SS**  trans167.666.2-176.700000114.3
25L39.3Very low37.3Very low166 Ų166148.1 Ų148.187%0.86980%0.803SS**  trans-66.2130.7160.5-78.8160000108.6
26N43.1Very low36.8Very low153 Ų153148.2 Ų148.282%0.81880%0.804SS**  trans-115.5122.9166.4-102.2-65.9000109.3
27I45.5Very low36.8Very low149 Ų149144.8 Ų144.876%0.76480%0.801SS**  trans-120111.4176.9-58.4169000106.3
28L41Very low36.7Very low168 Ų168145.1 Ų145.188%0.8880%0.803SS**  trans-175.3134.4167.1-89134000104.2
29G30.3Very low36.5Very low59 Ų59144.4 Ų144.461%0.60880%0.804SS**  cis141.9148.55.900000108.6
30L37.9Very low36.5Very low151 Ų151138.3 Ų138.379%0.79179%0.794SS**  trans70.1149.1174.6-32.5-177.2000114.2
31Q35.1Very low36Very low149 Ų149137.7 Ų137.770%0.69680%0.797SS**  cis-156.9167.5-16.3-143.17782.800108.7
32D38.4Very low35.7Very low150 Ų150138.5 Ų138.580%0.80280%0.797SS**  trans-56.6144.2169.1-57.8-91.8000113.6
33M37.3Very low35.3Very low185 Ų185132 Ų13291%0.91179%0.79SS**  trans-131.6105.7165.9-97.9-85.1-7300108.9
34Y37.3Very low35.3Very low205 Ų205132.1 Ų132.180%0.80478%0.784SS**  trans-92.9175.3168.1-162.5-94.8000109.2
35L36.3Very low35.3Very low145 Ų145134.9 Ų134.976%0.75979%0.786SS**  trans76.2129.2-172.3-66.295.2000114
36D30.1Very low35Very low134 Ų134134.7 Ų134.772%0.71779%0.785SS**  cis120.6114.220.4-18021.7000107.4
37T33.3Very low34.7Very low142 Ų142132.8 Ų132.887%0.87178%0.784SS**  trans-13998.3176.1-46.70000109.7
38S33.7Very low35.5Very low111 Ų111131.2 Ų131.278%0.77678%0.783SS**  trans-73.1150.9172.856.80000113.7
39G29.1Very low35.9Very low74 Ų74128.6 Ų128.676%0.76378%0.776SS**  trans138.869.5165.900000114.1
40A31.7Very low36Very low89 Ų89133.3 Ų133.374%0.73679%0.786SS**  83.4114.184.100000115
41N29.7Very low36.2Very low160 Ų160132.1 Ų132.186%0.85679%0.785SS**  -175.7144.5120.3-94-25.6000114
42S33.2Very low36.8Very low108 Ų108130.5 Ų130.576%0.75579%0.788SS**  trans93.8103.9158.3-51.60000120.3
43S32Very low36.6Very low118 Ų118130.3 Ų130.383%0.82579%0.792SS**  trans57.5105.8138.1-50.40000119.4
44A32.9Very low36.9Very low86 Ų86127.9 Ų127.971%0.71179%0.787SS**  83111.459.500000115.4
45T33.9Very low37.6Very low130 Ų130123.8 Ų123.880%0.79879%0.786SS**  trans59.9143.4155.769.80000117.8
46L32.8Very low37.5Very low163 Ų163123.9 Ų123.985%0.85379%0.787SS**  cis-149.6168.941.9-78.9159.8000113.7
47S36.8Very low38.6Very low112 Ų112122.3 Ų122.378%0.78378%0.784SS**  trans-78174.6-176.1-46.10000114.5
48P63.2Low38.5Very low116 Ų116120.4 Ų120.475%0.75378%0.777SS**  trans-85.4-174.5-172.441.3-37.7000111.7
49P48.8Very low38.7Very low113 Ų113121.3 Ų121.373%0.73478%0.778SS**  -161.6-171.589.438.6-14.1000117.9
50I32.5Very low39.1Very low159 Ų159122.9 Ų122.982%0.81578%0.777SS**  trans64.3117.3156.921.8171.9000124.1
51T42.2Very low39.5Very low126 Ų126123.1 Ų123.177%0.77378%0.779SS**  trans-64.1167.7140.139.50000110.9
52P48.1Very low39.8Very low115 Ų115124.1 Ų124.175%0.74778%0.779SS**  cis-151163.538.942.2-21.4000119.3
53V33.3Very low40Very low146 Ų146124.5 Ų124.589%0.88578%0.781SS**  trans-147.4111.9156.5-169.40000112.8
54T44.8Very low40.6Very low134 Ų134123.8 Ų123.882%0.82277%0.772SS**  trans-167.3141151.39.10000106.6
55P51.6Low40.9Very low119 Ų119127 Ų12777%0.77377%0.772SS**  -132.1153.872.513.411.7000113.8
56D34.4Very low41.1Very low146 Ų146129.1 Ų129.178%0.78177%0.77SS**  75.2156.669.6-13325.2000112.6
57P51.8Low42Very low101 Ų101126 Ų12666%0.65676%0.76SS**  cis-143.8-179.311.742-21.3000119.2
58S33Very low42.3Very low103 Ų103129 Ų12972%0.7276%0.759SS**  trans86.7135.2160-31.90000116.8
59T37.9Very low41.9Very low129 Ų129131.5 Ų131.579%0.79177%0.765SS**  cis-148.4146.224.8-42.30000112.4
60S36.7Very low41.9Very low107 Ų107129.7 Ų129.775%0.74876%0.759SS**  trans-16.7127.8173.460.30000120.1
61A40.7Very low42.8Very low94 Ų94127.2 Ų127.278%0.77775%0.748SS**  173.4100.7107.500000110.5S63A61-S63 PolarHBondContact O-N 3.46Å
62Q34.6Very low43.7Very low182 Ų182124.2 Ų124.285%0.8573%0.732SS**  trans-77107.5171.6-71175-10.700109.9
63S38.6Very low44.4Very low115 Ų115122 Ų12280%0.80472%0.724SS**  trans-101.362.916052.40000109.9A61 H65A61-S63 PolarHBondContact O-N 3.46Å; S63-H65 PolarHBondContact O-N 3.38Å
64T44Very low46Very low103 Ų103118.1 Ų118.163%0.63271%0.707SS**  trans-68.182.4166.835.50000109.3F66T64-F66 VanDerWaalsContact C-N 3.26Å; T64-F66 PolarHBondContact O-N 3.45Å
65H40.3Very low47.4Very low155 Ų155115.3 Ų115.372%0.71869%0.69SS**  trans-64.187.9171178.1-67000109.2S63 P67S63-H65 PolarHBondContact O-N 3.38Å; H65-P67 VanDerWaalsContact O-CD 3.26Å; H65-P67 WeakPolarHBondContact O-CD 3.28Å
66F37.6Very low48.5Very low173 Ų173111.9 Ų111.976%0.75967%0.671SS**PPolyproline II helixtrans-60.9117.3156.5-84.9-90.8000107.6T64 F68T64-F66 VanDerWaalsContact C-N 3.26Å; T64-F66 PolarHBondContact O-N 3.45Å; F66-F68 PolarHBondContact O-N 3.15Å
67P52.4Low50.8Low97 Ų97109.8 Ų109.863%0.6366%0.66SS**PPolyproline II helixtrans-62.1124.7170.1-16.831.8000108.2H65 L69H65-P67 VanDerWaalsContact O-CD 3.26Å; H65-P67 WeakPolarHBondContact O-CD 3.28Å; P67-L69 PolarHBondContact O-N 3.46Å
68F42.2Very low52.5Low177 Ų177108.2 Ų108.278%0.77665%0.652SS**PPolyproline II helixtrans-51.6129.4179.5-97.7-110.4000110.9F66 A70F66-F68 PolarHBondContact O-N 3.15Å; F68-A70 HydrophobicContact CB-CB 4.38Å; F68-A70 PolarHBondContact O-N 2.93Å
69L54.6Low55.2Low168 Ų168108.5 Ų108.588%0.8865%0.645SS**THydrogen-bonded Turntrans-7443.8172.4-69.4170000112.1P67P67-L69 PolarHBondContact O-N 3.46Å
70A48.7Very low57.7Low74 Ų74105.6 Ų105.661%0.61262%0.624SS**THydrogen-bonded Turntrans-114.5-30.7178.300000112.4F68 S72F68-A70 HydrophobicContact CB-CB 4.38Å; F68-A70 PolarHBondContact O-N 2.93Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 3.16Å
71D52.2Low60.3Low107 Ų107106.6 Ų106.657%0.57262%0.618SS**SBendtrans-91.48.7-176.4-64.8-45.1000114.4A73 A74 T75D71-A73 VanDerWaalsContact C-N 3.25Å; D71-A73 PolarHBondContact O-N 3.37Å; D71-A74 PolarHBondContact O-N 3.24Å; D71-A74 VanDerWaalsContact O-N 3.15Å; D71-T75 PolarHBondContact O-N 3.34Å; D71-T75 PolarHBondContact O-OG1 2.94Å
72S61.2Low62.8Low63 Ų63108.4 Ų108.444%0.44161%0.61SS.*Hα-helixtrans-55.5-36.3-173.5-43.30000113.3A70 T75 A76A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 3.16Å; S72-T75 PolarHBondContact O-OG1 3.48Å; S72-A76 WeakPolarHBondContact O-CB 3.45Å; S72-A76 PolarHBondContact O-N 3.23Å
73A62.3Low65.7Low69 Ų69106.9 Ų106.957%0.5760%0.597SS**Hα-helixtrans-76.4-36.8-179.400000113D71 N77D71-A73 VanDerWaalsContact C-N 3.25Å; D71-A73 PolarHBondContact O-N 3.37Å; A73-N77 WeakPolarHBondContact O-CB 3.48Å; A73-N77 PolarHBondContact O-N 2.98Å; A73-N77 VanDerWaalsContact O-N 3.1Å; A73-N77 PolarHBondContact O-ND2 3.47Å
74A67.1Low68.3Low65 Ų65106.4 Ų106.454%0.53758%0.582SS.*Hα-helixtrans-73.4-43178.700000111.2D71 N77 S78D71-A74 PolarHBondContact O-N 3.24Å; D71-A74 VanDerWaalsContact O-N 3.15Å; A74-N77 PolarHBondContact O-N 3.05Å; A74-S78 PolarHBondContact O-N 3.41Å; A74-S78 PolarHBondContact O-OG 2.99Å
75T74.1Confident70.8Confident74 Ų74108.6 Ų108.645%0.45458%0.58SS.*Hα-helixtrans-69.2-36.7175.650.20000112.8D71 S72 S78 L79D71-T75 PolarHBondContact O-N 3.34Å; D71-T75 PolarHBondContact O-OG1 2.94Å; S72-T75 PolarHBondContact O-OG1 3.48Å; T75-S78 PolarHBondContact O-N 2.98Å; T75-S78 PolarHBondContact O-OG 2.72Å; T75-L79 WeakPolarHBondContact O-CB 3.22Å; T75-L79 WeakPolarHBondContact O-CG 3.31Å; T75-L79 PolarHBondContact O-N 3.15Å; T75-L79 VanDerWaalsContact O-N 3.08Å
76A74.1Confident73.4Confident47 Ų47107 Ų10739%0.38857%0.572SS.*Hα-helixtrans-64.7-38.4171.200000112.4S72 L80S72-A76 WeakPolarHBondContact O-CB 3.45Å; S72-A76 PolarHBondContact O-N 3.23Å; A76-L80 WeakPolarHBondContact O-CB 3.14Å; A76-L80 PolarHBondContact O-N 3Å
77N83.4Confident76.2Confident102 Ų102106.5 Ų106.555%0.54557%0.567SS.*Hα-helixtrans-67.4-40.9176.1-89.3-71.8000112.8A73 A74 L80 M81A73-N77 WeakPolarHBondContact O-CB 3.48Å; A73-N77 PolarHBondContact O-N 2.98Å; A73-N77 VanDerWaalsContact O-N 3.1Å; A73-N77 PolarHBondContact O-ND2 3.47Å; A74-N77 PolarHBondContact O-N 3.05Å; N77-L80 WeakPolarHBondContact O-CB 3.17Å; N77-L80 PolarHBondContact O-N 3.45Å; N77-M81 PolarHBondContact O-N 3.27Å
78S86.6Confident78.3Confident69 Ų69107.8 Ų107.848%0.48356%0.564SS.*Hα-helixtrans-66.1-40.4176.663.50000112A74 T75 L80 M81 Q82A74-S78 PolarHBondContact O-N 3.41Å; A74-S78 PolarHBondContact O-OG 2.99Å; T75-S78 PolarHBondContact O-N 2.98Å; T75-S78 PolarHBondContact O-OG 2.72Å; S78-L80 PolarHBondContact O-N 3.28Å; S78-M81 PolarHBondContact O-N 3.41Å; S78-Q82 WeakPolarHBondContact O-CB 3.36Å; S78-Q82 PolarHBondContact O-N 3.42Å
79L89.3Confident80.9Confident109 Ų109102.8 Ų102.857%0.57155%0.545SS*.Hα-helixtrans-64.1-36.8172.1-71.8168.9000112.8T75 R83T75-L79 WeakPolarHBondContact O-CB 3.22Å; T75-L79 WeakPolarHBondContact O-CG 3.31Å; T75-L79 PolarHBondContact O-N 3.15Å; T75-L79 VanDerWaalsContact O-N 3.08Å; L79-R83 WeakPolarHBondContact O-CB 3.27Å; L79-R83 PolarHBondContact O-N 3.13Å
80L91Very high82.9Confident67 Ų6799.3 Ų99.335%0.35153%0.527SS..Hα-helixtrans-62-50173.2-106.3155000111.8A76 N77 S78 R83 Q84A76-L80 WeakPolarHBondContact O-CB 3.14Å; A76-L80 PolarHBondContact O-N 3Å; N77-L80 WeakPolarHBondContact O-CB 3.17Å; N77-L80 PolarHBondContact O-N 3.45Å; S78-L80 PolarHBondContact O-N 3.28Å; L80-R83 PolarHBondContact O-N 3.35Å; L80-Q84 WeakPolarHBondContact O-CG 3.28Å; L80-Q84 PolarHBondContact O-N 3.11Å
81M91.5Very high85.2Confident128 Ų128100 Ų10063%0.63152%0.52SS*.Hα-helixtrans-62.9-42.7176.9-86.5-72.216500112.2N77 S78 R83 Q84 Y85N77-M81 PolarHBondContact O-N 3.27Å; S78-M81 PolarHBondContact O-N 3.41Å; M81-R83 VanDerWaalsContact C-N 3.32Å; M81-R83 PolarHBondContact O-N 2.87Å; M81-Q84 PolarHBondContact O-N 2.7Å; M81-Y85 WeakPolarHBondContact O-CB 3.43Å; M81-Y85 PolarHBondContact O-N 2.75Å
82Q93.1Very high87.3Confident132 Ų13299.7 Ų99.762%0.61752%0.515SS*.Hα-helixtrans-62-40176.4-169.8175.59.700111.6S78 H86S78-Q82 WeakPolarHBondContact O-CB 3.36Å; S78-Q82 PolarHBondContact O-N 3.42Å; Q82-H86 WeakPolarHBondContact O-CB 3.47Å; Q82-H86 PolarHBondContact O-N 2.94Å
83R94.8Very high88.9Confident151 Ų151103 Ų10357%0.5752%0.523SS*.Hα-helixtrans-65.5-42.9173.9-168-17774.4-111.34.7112.1L79 L80 M81 H86 Y87L79-R83 WeakPolarHBondContact O-CB 3.27Å; L79-R83 PolarHBondContact O-N 3.13Å; L80-R83 PolarHBondContact O-N 3.35Å; M81-R83 VanDerWaalsContact C-N 3.32Å; M81-R83 PolarHBondContact O-N 2.87Å; R83-H86 PolarHBondContact O-N 2.86Å; R83-Y87 WeakPolarHBondContact O-CB 3.07Å; R83-Y87 PolarHBondContact O-N 3.46Å
84Q94.4Very high90.5Very high104 Ų104106.3 Ų106.349%0.48653%0.527SS..Hα-helixtrans-62.5-43.9176.6-75.4176.8-45.500111.8L80 M81 H86 Y87 H88L80-Q84 WeakPolarHBondContact O-CG 3.28Å; L80-Q84 PolarHBondContact O-N 3.11Å; M81-Q84 PolarHBondContact O-N 2.7Å; Q84-H86 PolarHBondContact O-N 2.71Å; Q84-Y87 PolarHBondContact O-N 2.77Å; Q84-H88 PolarHBondContact O-N 3.49Å
85Y95.6Very high91.8Very high150 Ų150110 Ų11059%0.58853%0.533SS*.Hα-helixtrans-59.5-46174.7178.7-98.4000112M81 Y87 H88 L89M81-Y85 WeakPolarHBondContact O-CB 3.43Å; M81-Y85 PolarHBondContact O-N 2.75Å; Y85-Y87 VanDerWaalsContact C-N 3.33Å; Y85-Y87 PolarHBondContact O-N 2.9Å; Y85-H88 PolarHBondContact O-N 3.27Å; Y85-L89 HydrophobicContact CD1-CD1 4.37Å; Y85-L89 HydrophobicContact CD2-CD1 4.46Å; Y85-L89 HydrophobicContact CE1-CD1 3.79Å; Y85-L89 HydrophobicContact CE1-CD2 4.11Å; Y85-L89 HydrophobicContact CE2-CD1 3.89Å; Y85-L89 PolarHBondContact O-N 3.33Å
86H95.4Very high92.7Very high120 Ų120112.1 Ų112.156%0.55654%0.538SS*.Hα-helixtrans-63.7-38.4178.5-156.384.1000112.3Q82 R83 Q84 L89 L90Q82-H86 WeakPolarHBondContact O-CB 3.47Å; Q82-H86 PolarHBondContact O-N 2.94Å; R83-H86 PolarHBondContact O-N 2.86Å; Q84-H86 PolarHBondContact O-N 2.71Å; H86-L89 PolarHBondContact O-N 2.75Å; H86-L90 PolarHBondContact O-N 3.18Å; H86-L90 VanDerWaalsContact O-N 3.08Å
87Y96.3Very high93.8Very high164 Ų164114.9 Ų114.964%0.64355%0.545SS*.Hα-helixtrans-65.4-38.8175.3-150.6-90.8000112.2R83 Q84 Y85 L90 L91R83-Y87 WeakPolarHBondContact O-CB 3.07Å; R83-Y87 PolarHBondContact O-N 3.46Å; Q84-Y87 PolarHBondContact O-N 2.77Å; Y85-Y87 VanDerWaalsContact C-N 3.33Å; Y85-Y87 PolarHBondContact O-N 2.9Å; Y87-L90 PolarHBondContact O-N 3.2Å; Y87-L91 HydrophobicContact CD1-CD1 3.79Å; Y87-L91 HydrophobicContact CE1-CD1 3.65Å; Y87-L91 PolarHBondContact O-N 2.77Å
88H96Very high94.3Very high124 Ų124112.7 Ų112.757%0.57454%0.541SS*.Hα-helixtrans-66.3-38.9176.1-168.9-161.7000112.1Q84 Y85 L91 Q92Q84-H88 PolarHBondContact O-N 3.49Å; Y85-H88 PolarHBondContact O-N 3.27Å; H88-L91 PolarHBondContact O-N 3.3Å; H88-Q92 PolarHBondContact O-N 3.22Å
89L97.3Very high94.7Very high71 Ų71114.7 Ų114.737%0.37255%0.545SS..Hα-helixtrans-61-42.2171.5-107.968.3000112.3Y85 H86 Q92 Q93Y85-L89 HydrophobicContact CD1-CD1 4.37Å; Y85-L89 HydrophobicContact CD2-CD1 4.46Å; Y85-L89 HydrophobicContact CE1-CD1 3.79Å; Y85-L89 HydrophobicContact CE1-CD2 4.11Å; Y85-L89 HydrophobicContact CE2-CD1 3.89Å; Y85-L89 PolarHBondContact O-N 3.33Å; H86-L89 PolarHBondContact O-N 2.75Å; L89-Q92 PolarHBondContact O-N 3.36Å; L89-Q93 PolarHBondContact O-N 3.26Å
90L97Very high94.9Very high95 Ų95112 Ų11250%0.49754%0.538SS..Hα-helixtrans-61.2-44.9176-111.782.9000112H86 Y87 Q92 Q93 Q94H86-L90 PolarHBondContact O-N 3.18Å; H86-L90 VanDerWaalsContact O-N 3.08Å; Y87-L90 PolarHBondContact O-N 3.2Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.12Å; L90-Q93 PolarHBondContact O-N 3.47Å; L90-Q94 WeakPolarHBondContact O-CB 3.29Å; L90-Q94 PolarHBondContact O-N 2.95Å
91L96.6Very high94.9Very high89 Ų89115 Ų11547%0.46655%0.55SS.*Hα-helixtrans-61.1-43176-102.370.4000111.8Y87 H88 Q94 Q95Y87-L91 HydrophobicContact CD1-CD1 3.79Å; Y87-L91 HydrophobicContact CE1-CD1 3.65Å; Y87-L91 PolarHBondContact O-N 2.77Å; H88-L91 PolarHBondContact O-N 3.3Å; L91-Q94 PolarHBondContact O-N 3.44Å; L91-Q95 WeakPolarHBondContact O-CB 3.44Å; L91-Q95 PolarHBondContact O-N 2.97Å
92Q95.8Very high95.1Very high101 Ų101114.6 Ų114.647%0.47255%0.547SS..Hα-helixtrans-63.3-43.9178-171.6178.5105.800111.7H88 L89 L90 Q95 Q96H88-Q92 PolarHBondContact O-N 3.22Å; L89-Q92 PolarHBondContact O-N 3.36Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.12Å; Q92-Q95 PolarHBondContact O-N 3.49Å; Q92-Q96 WeakPolarHBondContact O-CG 3.43Å; Q92-Q96 PolarHBondContact O-N 2.82Å
93Q95.6Very high95.1Very high132 Ų132114.2 Ų114.262%0.61755%0.545SS*.Hα-helixtrans-62.6-44.9175.5-172.6-167.4100.600111.6L89 L90 Q95 Q96 L97L89-Q93 PolarHBondContact O-N 3.26Å; L90-Q93 PolarHBondContact O-N 3.47Å; Q93-Q95 VanDerWaalsContact C-N 3.32Å; Q93-Q95 PolarHBondContact O-N 2.93Å; Q93-Q96 PolarHBondContact O-N 3.42Å; Q93-L97 PolarHBondContact O-N 3.34Å
94Q94.8Very high94.9Very high139 Ų139112.9 Ų112.965%0.6555%0.548SS*.Hα-helixtrans-60.8-41.8177.9-175.2-176.791.300111.6L90 L91 L97 A98L90-Q94 WeakPolarHBondContact O-CB 3.29Å; L90-Q94 PolarHBondContact O-N 2.95Å; L91-Q94 PolarHBondContact O-N 3.44Å; Q94-L97 PolarHBondContact O-N 2.66Å; Q94-A98 WeakPolarHBondContact O-CB 3.28Å; Q94-A98 PolarHBondContact O-N 3.2Å
95Q94.9Very high94.8Very high142 Ų142110.3 Ų110.366%0.66455%0.545SS*.Hα-helixtrans-64.7-40.8177.2-175.2174.383.200112.2L91 Q92 Q93 A98 M99L91-Q95 WeakPolarHBondContact O-CB 3.44Å; L91-Q95 PolarHBondContact O-N 2.97Å; Q92-Q95 PolarHBondContact O-N 3.49Å; Q93-Q95 VanDerWaalsContact C-N 3.32Å; Q93-Q95 PolarHBondContact O-N 2.93Å; Q95-A98 PolarHBondContact O-N 3.17Å; Q95-M99 WeakPolarHBondContact O-CB 3.22Å; Q95-M99 PolarHBondContact O-N 2.85Å
96Q94.4Very high94.5Very high119 Ų119107.9 Ų107.956%0.55654%0.541SS*.Hα-helixtrans-62.5-43.2173.5-71.8172.54.900111.6Q92 Q93 M99 A100Q92-Q96 WeakPolarHBondContact O-CG 3.43Å; Q92-Q96 PolarHBondContact O-N 2.82Å; Q93-Q96 PolarHBondContact O-N 3.42Å; Q96-M99 PolarHBondContact O-N 3.28Å; Q96-A100 WeakPolarHBondContact O-CB 3.48Å; Q96-A100 PolarHBondContact O-N 3.4Å
97L95.5Very high94.1Very high104 Ų104104.9 Ų104.955%0.54554%0.538SS..Hα-helixtrans-65.7-41.3178.9-160.774.5000111.9Q93 Q94 A100 Q101Q93-L97 PolarHBondContact O-N 3.34Å; Q94-L97 PolarHBondContact O-N 2.66Å; L97-A100 PolarHBondContact O-N 3.27Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 2.94Å
98A95.3Very high93.5Very high56 Ų5699.9 Ų99.946%0.46353%0.53SS..Hα-helixtrans-62.7-41.2174.900000112Q94 Q95 Q101 H102Q94-A98 WeakPolarHBondContact O-CB 3.28Å; Q94-A98 PolarHBondContact O-N 3.2Å; Q95-A98 PolarHBondContact O-N 3.17Å; A98-Q101 PolarHBondContact O-N 3.37Å; A98-H102 WeakPolarHBondContact O-CB 3.42Å; A98-H102 PolarHBondContact O-N 2.66Å
99M93.5Very high92.8Very high112 Ų11297.9 Ų97.955%0.55253%0.53SS*.Hα-helixtrans-63.9-43.8174.7-171.6-173.3-64.700111.7Q95 Q96 H102 Q103Q95-M99 WeakPolarHBondContact O-CB 3.22Å; Q95-M99 PolarHBondContact O-N 2.85Å; Q96-M99 PolarHBondContact O-N 3.28Å; M99-H102 PolarHBondContact O-N 3.4Å; M99-Q103 WeakPolarHBondContact O-CG 3.37Å; M99-Q103 PolarHBondContact O-N 3.07Å
100A93.8Very high91.8Very high53 Ų5397.4 Ų97.444%0.43854%0.536SS..Hα-helixtrans-63.2-42.2177.200000112.2Q96 L97 Q103 L104Q96-A100 WeakPolarHBondContact O-CB 3.48Å; Q96-A100 PolarHBondContact O-N 3.4Å; L97-A100 PolarHBondContact O-N 3.27Å; A100-Q103 PolarHBondContact O-N 3.22Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.12Å
101Q92.4Very high90.8Very high128 Ų12895.4 Ų95.460%0.59853%0.534SS*.Hα-helixtrans-64.3-38.7174.7-75.5-176.3-17.300112.4L97 A98 L104 A105L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 2.94Å; A98-Q101 PolarHBondContact O-N 3.37Å; Q101-L104 PolarHBondContact O-N 3.2Å; Q101-A105 WeakPolarHBondContact O-CB 3.49Å; Q101-A105 PolarHBondContact O-N 3.49Å
102H94Very high89.6Confident121 Ų12194.2 Ų94.256%0.5654%0.537SS*.Hα-helixtrans-63.1-45.7174.9-175.669.5000111.7A98 M99 L104 A105 L106A98-H102 WeakPolarHBondContact O-CB 3.42Å; A98-H102 PolarHBondContact O-N 2.66Å; M99-H102 PolarHBondContact O-N 3.4Å; H102-L104 VanDerWaalsContact C-N 3.33Å; H102-L104 PolarHBondContact O-N 3Å; H102-A105 PolarHBondContact O-N 3.29Å; H102-L106 VanDerWaalsContact CE1-CD1 3.44Å; H102-L106 WeakPolarHBondContact CE1-CD1 3.26Å; H102-L106 WeakPolarHBondContact NE2-CD1 3.37Å; H102-L106 VanDerWaalsContact O-CD1 3.25Å; H102-L106 WeakPolarHBondContact O-CD1 3.19Å; H102-L106 PolarHBondContact O-N 2.84Å
103Q93.9Very high88.2Confident123 Ų12392 Ų9258%0.57554%0.536SS*.Hα-helixtrans-60.1-42.4174.8-69.6176.222.200111.9M99 A100 A105 L106 A107M99-Q103 WeakPolarHBondContact O-CG 3.37Å; M99-Q103 PolarHBondContact O-N 3.07Å; A100-Q103 PolarHBondContact O-N 3.22Å; Q103-A105 PolarHBondContact O-N 3.08Å; Q103-L106 PolarHBondContact O-N 3.23Å; Q103-A107 WeakPolarHBondContact O-CB 3.46Å; Q103-A107 PolarHBondContact O-N 3.35Å
104L91.4Very high86.7Confident123 Ų12389 Ų8964%0.64453%0.529SS*.Hα-helixtrans-64.4-38.6176.5-173.363.9000112.1A100 Q101 H102 A107 A108A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.12Å; Q101-L104 PolarHBondContact O-N 3.2Å; H102-L104 VanDerWaalsContact C-N 3.33Å; H102-L104 PolarHBondContact O-N 3Å; L104-A107 PolarHBondContact O-N 2.88Å; L104-A108 VanDerWaalsContact O-CB 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.17Å; L104-A108 PolarHBondContact O-N 3.07Å
105A90.8Very high85.1Confident50 Ų5084.9 Ų84.941%0.41352%0.519SS..Hα-helixtrans-66.2-39.1175.800000112.3Q101 H102 Q103 S109Q101-A105 WeakPolarHBondContact O-CB 3.49Å; Q101-A105 PolarHBondContact O-N 3.49Å; H102-A105 PolarHBondContact O-N 3.29Å; Q103-A105 PolarHBondContact O-N 3.08Å; A105-S109 VanDerWaalsContact O-CB 3.31Å; A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.37Å; A105-S109 PolarHBondContact O-OG 2.87Å
106L89.8Confident83.5Confident99 Ų9981.7 Ų81.752%0.51851%0.513SS..Hα-helixtrans-65-45.6172.3-92.974.2000111.3H102 Q103 S109 A110H102-L106 VanDerWaalsContact CE1-CD1 3.44Å; H102-L106 WeakPolarHBondContact CE1-CD1 3.26Å; H102-L106 WeakPolarHBondContact NE2-CD1 3.37Å; H102-L106 VanDerWaalsContact O-CD1 3.25Å; H102-L106 WeakPolarHBondContact O-CD1 3.19Å; H102-L106 PolarHBondContact O-N 2.84Å; Q103-L106 PolarHBondContact O-N 3.23Å; L106-S109 PolarHBondContact O-N 2.88Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 2.73Å
107A86.2Confident81.8Confident58 Ų5882 Ų8248%0.47951%0.514SS..Hα-helixtrans-62-43.1177.900000112.2Q103 L104 S109 A110 A111Q103-A107 WeakPolarHBondContact O-CB 3.46Å; Q103-A107 PolarHBondContact O-N 3.35Å; L104-A107 PolarHBondContact O-N 2.88Å; A107-S109 VanDerWaalsContact C-N 3.34Å; A107-S109 PolarHBondContact O-N 3.49Å; A107-A110 PolarHBondContact O-N 3.28Å; A107-A111 VanDerWaalsContact O-CB 3.32Å; A107-A111 WeakPolarHBondContact O-CB 3.44Å; A107-A111 PolarHBondContact O-N 2.84Å
108A84.2Confident80.2Confident58 Ų5882.5 Ų82.548%0.47951%0.513SS..Hα-helixtrans-63.7-39.5175.300000112.1L104 A111 A112L104-A108 VanDerWaalsContact O-CB 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.17Å; L104-A108 PolarHBondContact O-N 3.07Å; A108-A111 PolarHBondContact O-N 3.05Å; A108-A112 WeakPolarHBondContact O-CB 3.43Å; A108-A112 PolarHBondContact O-N 3.05Å
109S81.7Confident78.8Confident82 Ų8286.2 Ų86.257%0.57352%0.521SS*.Hα-helixtrans-67.7-41.3177.4-58.40000111.8A105 L106 A107 A112 A113A105-S109 VanDerWaalsContact O-CB 3.31Å; A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.37Å; A105-S109 PolarHBondContact O-OG 2.87Å; L106-S109 PolarHBondContact O-N 2.88Å; A107-S109 VanDerWaalsContact C-N 3.34Å; A107-S109 PolarHBondContact O-N 3.49Å; S109-A112 PolarHBondContact O-N 3.33Å; S109-A113 PolarHBondContact O-N 2.97Å
110A76.2Confident77.6Confident61 Ų6184.5 Ų84.550%0.50452%0.517SS..Hα-helixtrans-63.9-43.717300000111.7L106 A107 A113 S114L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 2.73Å; A107-A110 PolarHBondContact O-N 3.28Å; A110-A113 PolarHBondContact O-N 2.79Å; A110-S114 PolarHBondContact O-N 3.07Å; A110-S114 PolarHBondContact O-OG 3.36Å
111A75.5Confident76.6Confident54 Ų5486.5 Ų86.545%0.44652%0.52SS..Hα-helixtrans-61.9-43.1176.800000112.2A107 A108 S114 A115A107-A111 VanDerWaalsContact O-CB 3.32Å; A107-A111 WeakPolarHBondContact O-CB 3.44Å; A107-A111 PolarHBondContact O-N 2.84Å; A108-A111 PolarHBondContact O-N 3.05Å; A111-S114 WeakPolarHBondContact CA-OG 3.25Å; A111-S114 PolarHBondContact O-N 3.39Å; A111-S114 PolarHBondContact O-OG 2.96Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 3.19Å
112A71.8Confident76.1Confident63 Ų6385.7 Ų85.752%0.52152%0.517SS..Hα-helixtrans-62.9-41.6175.500000112.2A108 S109 A115 S116A108-A112 WeakPolarHBondContact O-CB 3.43Å; A108-A112 PolarHBondContact O-N 3.05Å; S109-A112 PolarHBondContact O-N 3.33Å; A112-A115 PolarHBondContact O-N 3.14Å; A112-S116 PolarHBondContact O-N 2.92Å
113A67.2Low75.5Confident55 Ų5584.3 Ų84.346%0.45551%0.512SS..Hα-helixtrans-63.3-43.4174.800000112S109 A110 H117S109-A113 PolarHBondContact O-N 2.97Å; A110-A113 PolarHBondContact O-N 2.79Å; A113-H117 PolarHBondContact O-N 2.92Å; A113-H117 VanDerWaalsContact O-N 3.16Å
114S64.3Low75Confident69 Ų6981 Ų8148%0.48351%0.506SS..Hα-helixtrans-66-40.3175.953.60000113A110 A111 H117 Q118A110-S114 PolarHBondContact O-N 3.07Å; A110-S114 PolarHBondContact O-OG 3.36Å; A111-S114 WeakPolarHBondContact CA-OG 3.25Å; A111-S114 PolarHBondContact O-N 3.39Å; A111-S114 PolarHBondContact O-OG 2.96Å; S114-H117 PolarHBondContact O-N 2.91Å; S114-Q118 VanDerWaalsContact O-CB 3.28Å; S114-Q118 WeakPolarHBondContact O-CB 3.42Å; S114-Q118 PolarHBondContact O-N 2.86Å
115A60.8Low74.6Confident53 Ų5383.3 Ų83.344%0.43851%0.506SS..Hα-helixtrans-64.4-42.2179.100000111.7A111 A112 Q118 Q119A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 3.19Å; A112-A115 PolarHBondContact O-N 3.14Å; A115-Q118 PolarHBondContact O-N 3.41Å; A115-Q119 WeakPolarHBondContact O-CB 3.39Å; A115-Q119 PolarHBondContact O-N 3.5Å
116S59.9Low74.5Confident75 Ų7584 Ų8452%0.52451%0.508SS..Hα-helixtrans-64.3-41.3176.5-1710000112.3A112 T120A112-S116 PolarHBondContact O-N 2.92Å; S116-T120 PolarHBondContact O-N 3.24Å; S116-T120 PolarHBondContact O-OG1 2.74Å
117H60.4Low74.4Confident125 Ų12584.5 Ų84.558%0.57951%0.511SS*.Hα-helixtrans-66-48.7176.1-94.3-73.6000111.7A113 S114 Q119 T120 D121A113-H117 PolarHBondContact O-N 2.92Å; A113-H117 VanDerWaalsContact O-N 3.16Å; S114-H117 PolarHBondContact O-N 2.91Å; H117-Q119 VanDerWaalsContact C-N 3.33Å; H117-Q119 PolarHBondContact O-N 3.46Å; H117-T120 PolarHBondContact O-N 3.5Å; H117-T120 VanDerWaalsContact O-N 3.1Å; H117-T120 PolarHBondContact O-OG1 2.98Å; H117-D121 PolarHBondContact O-N 3.48Å
118Q61.7Low74.4Confident115 Ų11588.1 Ų88.154%0.53752%0.516SS..Hα-helixtrans-59-42.6-178.2-172.9174.8-4.900112.1S114 A115 T120 D121 E122S114-Q118 VanDerWaalsContact O-CB 3.28Å; S114-Q118 WeakPolarHBondContact O-CB 3.42Å; S114-Q118 PolarHBondContact O-N 2.86Å; A115-Q118 PolarHBondContact O-N 3.41Å; Q118-T120 PolarHBondContact O-N 2.95Å; Q118-D121 PolarHBondContact O-N 3.36Å; Q118-E122 PolarHBondContact NE2-OE1 3.43Å; Q118-E122 WeakPolarHBondContact O-CG 3.43Å; Q118-E122 PolarHBondContact O-N 3.26Å
119Q65.8Low74.5Confident134 Ų13489.8 Ų89.863%0.62652%0.516SS*.Hα-helixtrans-64.6-39.5176.8-168.3176.512.400112.3A115 H117 I123A115-Q119 WeakPolarHBondContact O-CB 3.39Å; A115-Q119 PolarHBondContact O-N 3.5Å; H117-Q119 VanDerWaalsContact C-N 3.33Å; H117-Q119 PolarHBondContact O-N 3.46Å; Q119-I123 HydrophobicContact CG-CD1 4.31Å; Q119-I123 WeakPolarHBondContact O-CG1 3.31Å; Q119-I123 PolarHBondContact O-N 3.08Å
120T68.4Low74.8Confident76 Ų7692.8 Ų92.847%0.46652%0.519SS..Hα-helixtrans-67.7-35.5175.252.60000112.9S116 H117 Q118 A124S116-T120 PolarHBondContact O-N 3.24Å; S116-T120 PolarHBondContact O-OG1 2.74Å; H117-T120 PolarHBondContact O-N 3.5Å; H117-T120 VanDerWaalsContact O-N 3.1Å; H117-T120 PolarHBondContact O-OG1 2.98Å; Q118-T120 PolarHBondContact O-N 2.95Å; T120-A124 WeakPolarHBondContact O-CB 3.38Å; T120-A124 PolarHBondContact O-N 2.92Å
121D73.1Confident75Confident95 Ų9592.2 Ų92.251%0.50851%0.514SS..Hα-helixtrans-71.5-34.9179.2-71.6-30.2000112.3H117 Q118 R125H117-D121 PolarHBondContact O-N 3.48Å; Q118-D121 PolarHBondContact O-N 3.36Å; D121-R125 WeakPolarHBondContact O-CB 3.34Å; D121-R125 PolarHBondContact O-N 3.44Å
122E81.7Confident75.1Confident111 Ų11195 Ų9552%0.51952%0.518SS..Hα-helixtrans-69.9-38.7174.7-73.7178.9-169.500112.4Q118 R125 S126Q118-E122 PolarHBondContact NE2-OE1 3.43Å; Q118-E122 WeakPolarHBondContact O-CG 3.43Å; Q118-E122 PolarHBondContact O-N 3.26Å; E122-R125 PolarHBondContact O-N 2.94Å; E122-S126 WeakPolarHBondContact O-CB 3.32Å; E122-S126 PolarHBondContact O-N 3.09Å; E122-S126 PolarHBondContact O-OG 3.42Å
123I81.5Confident75.4Confident91 Ų9197.2 Ų97.247%0.46752%0.524SS..Hα-helixtrans-65.8-45.3172.5-65.2167.9000110.2Q119 R125 S126 L127Q119-I123 HydrophobicContact CG-CD1 4.31Å; Q119-I123 WeakPolarHBondContact O-CG1 3.31Å; Q119-I123 PolarHBondContact O-N 3.08Å; I123-R125 PolarHBondContact O-N 3.43Å; I123-S126 WeakPolarHBondContact CA-OG 3.34Å; I123-S126 PolarHBondContact O-N 3.2Å; I123-S126 PolarHBondContact O-OG 3.03Å; I123-L127 HydrophobicContact CG2-CD1 3.91Å; I123-L127 WeakPolarHBondContact O-CB 3.4Å; I123-L127 VanDerWaalsContact O-CG 3.27Å; I123-L127 WeakPolarHBondContact O-CG 3.4Å; I123-L127 PolarHBondContact O-N 3.03Å
124A82.5Confident75.6Confident54 Ų5498.6 Ų98.645%0.44653%0.527SS..Hα-helixtrans-63.7-38.9176.300000112.5T120 K128T120-A124 WeakPolarHBondContact O-CB 3.38Å; T120-A124 PolarHBondContact O-N 2.92Å; A124-K128 VanDerWaalsContact O-CB 3.27Å; A124-K128 WeakPolarHBondContact O-CB 3.37Å; A124-K128 PolarHBondContact O-N 3.34Å
125R83.6Confident75.6Confident171 Ų17198.6 Ų98.665%0.64553%0.525SS*.Hα-helixtrans-66-47.3177-177.4-174.3-66.9-175-0.8111.7D121 E122 I123 K128 I129D121-R125 WeakPolarHBondContact O-CB 3.34Å; D121-R125 PolarHBondContact O-N 3.44Å; E122-R125 PolarHBondContact O-N 2.94Å; I123-R125 PolarHBondContact O-N 3.43Å; R125-K128 PolarHBondContact O-N 3.28Å; R125-I129 HydrophobicContact CG-CD1 3.98Å; R125-I129 WeakPolarHBondContact O-CG1 3.45Å; R125-I129 PolarHBondContact O-N 2.92Å
126S88.9Confident75.2Confident66 Ų6698 Ų9846%0.46252%0.524SS..Hα-helixtrans-64.7-42.8178.7510000112E122 I123 K128 I129 F130E122-S126 WeakPolarHBondContact O-CB 3.32Å; E122-S126 PolarHBondContact O-N 3.09Å; E122-S126 PolarHBondContact O-OG 3.42Å; I123-S126 WeakPolarHBondContact CA-OG 3.34Å; I123-S126 PolarHBondContact O-N 3.2Å; I123-S126 PolarHBondContact O-OG 3.03Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 2.89Å; S126-I129 PolarHBondContact O-N 3.5Å; S126-F130 WeakPolarHBondContact O-CB 3.42Å; S126-F130 PolarHBondContact O-N 3.07Å
127L88.1Confident74.9Confident108 Ų10898.4 Ų98.457%0.56553%0.531SS*.Hα-helixtrans-61.7-38.6172-71.5171.3000112.7I123 A131I123-L127 HydrophobicContact CG2-CD1 3.91Å; I123-L127 WeakPolarHBondContact O-CB 3.4Å; I123-L127 VanDerWaalsContact O-CG 3.27Å; I123-L127 WeakPolarHBondContact O-CG 3.4Å; I123-L127 PolarHBondContact O-N 3.03Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.21Å
128K85Confident74.4Confident135 Ų13596 Ų9659%0.58753%0.533SS*.Hα-helixtrans-65.2-44.7175.9-177.4-179.4177.1-175.60112.1A124 R125 S126 A131 Q132A124-K128 VanDerWaalsContact O-CB 3.27Å; A124-K128 WeakPolarHBondContact O-CB 3.37Å; A124-K128 PolarHBondContact O-N 3.34Å; R125-K128 PolarHBondContact O-N 3.28Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 2.89Å; K128-A131 PolarHBondContact O-N 3.42Å; K128-Q132 WeakPolarHBondContact O-CG 3.17Å; K128-Q132 PolarHBondContact O-N 3.26Å
129I86.1Confident73.9Confident93 Ų9397 Ų9748%0.47754%0.538SS..Hα-helixtrans-64.1-46.3177.1-67.6165.2000110.2R125 S126 A131 Q132 V133R125-I129 HydrophobicContact CG-CD1 3.98Å; R125-I129 WeakPolarHBondContact O-CG1 3.45Å; R125-I129 PolarHBondContact O-N 2.92Å; S126-I129 PolarHBondContact O-N 3.5Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.48Å; I129-Q132 PolarHBondContact O-N 3.05Å; I129-V133 HydrophobicContact CG2-CG2 4.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.33Å; I129-V133 PolarHBondContact O-N 2.87Å
130F87.6Confident73.2Confident145 Ų14597.8 Ų97.864%0.63655%0.546SS*.Hα-helixtrans-58.2-44.7176.2-178.5-97.7000111.8S126 V133 T134S126-F130 WeakPolarHBondContact O-CB 3.42Å; S126-F130 PolarHBondContact O-N 3.07Å; F130-V133 PolarHBondContact O-N 3.06Å; F130-T134 WeakPolarHBondContact O-CB 3.47Å; F130-T134 PolarHBondContact O-N 2.87Å; F130-T134 PolarHBondContact O-OG1 3.3Å
131A80.7Confident72.4Confident49 Ų4998.2 Ų98.241%0.40556%0.557SS.*Hα-helixtrans-60-47174.800000111.9L127 K128 I129 V133 T134 T135L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.21Å; K128-A131 PolarHBondContact O-N 3.42Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.48Å; A131-V133 PolarHBondContact O-N 2.81Å; A131-T134 PolarHBondContact O-N 2.97Å; A131-T134 VanDerWaalsContact O-N 3.12Å; A131-T135 WeakPolarHBondContact O-CG2 3.25Å; A131-T135 PolarHBondContact O-N 3.39Å; A131-T135 PolarHBondContact O-OG1 3.4Å
132Q78.2Confident71.3Confident112 Ų11298.2 Ų98.252%0.52357%0.571SS.*Hα-helixtrans-61.8-40.6178.6-74.8177.2-46.500113.2K128 I129 T134 G136K128-Q132 WeakPolarHBondContact O-CG 3.17Å; K128-Q132 PolarHBondContact O-N 3.26Å; I129-Q132 PolarHBondContact O-N 3.05Å; Q132-T134 VanDerWaalsContact C-N 3.28Å; Q132-T134 PolarHBondContact O-N 3.32Å; Q132-G136 PolarHBondContact O-N 3.38Å
133V77.8Confident70.1Confident109 Ų10994.9 Ų94.966%0.66157%0.566SS**Hα-helixtrans-65.7-33.9175.1173.90000111.2I129 F130 A131I129-V133 HydrophobicContact CG2-CG2 4.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.33Å; I129-V133 PolarHBondContact O-N 2.87Å; F130-V133 PolarHBondContact O-N 3.06Å; A131-V133 PolarHBondContact O-N 2.81Å
134T71.3Confident69.6Low84 Ų8493.4 Ų93.452%0.51556%0.564SS.*Hα-helixtrans-78.9-34.4179.7-45.90000112.6F130 A131 Q132F130-T134 WeakPolarHBondContact O-CB 3.47Å; F130-T134 PolarHBondContact O-N 2.87Å; F130-T134 PolarHBondContact O-OG1 3.3Å; A131-T134 PolarHBondContact O-N 2.97Å; A131-T134 VanDerWaalsContact O-N 3.12Å; Q132-T134 VanDerWaalsContact C-N 3.28Å; Q132-T134 PolarHBondContact O-N 3.32Å
135T64Low69Low70 Ų7098.3 Ų98.343%0.42958%0.579SS.*Hα-helixtrans-81.8-34.7177.364.90000112.8A131 A137 A138 E139A131-T135 WeakPolarHBondContact O-CG2 3.25Å; A131-T135 PolarHBondContact O-N 3.39Å; A131-T135 PolarHBondContact O-OG1 3.4Å; T135-A137 PolarHBondContact O-N 3.08Å; T135-A138 PolarHBondContact O-N 3.05Å; T135-E139 WeakPolarHBondContact CB-OE1 3.39Å; T135-E139 PolarHBondContact OG1-OE1 2.93Å
136G54.2Low68.2Low41 Ų4196.2 Ų96.242%0.42358%0.577SS.*THydrogen-bonded Turntrans-59-18.6-179.700000114.9Q132 A138Q132-G136 PolarHBondContact O-N 3.38Å; G136-A138 VanDerWaalsContact C-N 3.35Å
137A52.2Low67.4Low82 Ų8298 Ų9868%0.67858%0.581SS**THydrogen-bonded Turntrans-76.1-15.9172.900000114.4T135T135-A137 PolarHBondContact O-N 3.08Å
138A50.1Low66.9Low75 Ų7597 Ų9762%0.6258%0.58SS**THydrogen-bonded Turntrans-101.4-17.6-175.800000114.1T135 G136T135-A138 PolarHBondContact O-N 3.05Å; G136-A138 VanDerWaalsContact C-N 3.35Å
139E52.3Low66.5Low135 Ų13596.2 Ų96.263%0.63158%0.579SS**SBendtrans-92-13.4-166-58.2-178.8-12600113.8T135T135-E139 WeakPolarHBondContact CB-OE1 3.39Å; T135-E139 PolarHBondContact OG1-OE1 2.93Å
140N50.3Low66Low152 Ų15297.5 Ų97.581%0.81358%0.583SS**SBendtrans-114.98.7178.1-75.2-74.2000114.3
141A50.8Low65.5Low84 Ų8496.4 Ų96.469%0.69458%0.58SS**SBendtrans-96.618.5-178.200000113.9
142A51.5Low65.2Low96 Ų96101.2 Ų101.279%0.79359%0.593SS**  trans-112.5-2.7-175.400000114.7
143G56.1Low65Low41 Ų4198.9 Ų98.942%0.42359%0.592SS.*SBendtrans-70.1126.9160.700000108.9
144S69.9Low64.7Low60 Ų6098.3 Ų98.342%0.4259%0.589SS.*  trans-61.8155.2170.870.40000109.7Q146 D147 V148S144-Q146 PolarHBondContact O-N 3.14Å; S144-D147 WeakPolarHBondContact O-CB 3.48Å; S144-D147 PolarHBondContact O-N 3.45Å; S144-D147 PolarHBondContact OG-N 3.04Å; S144-V148 PolarHBondContact O-N 3.2Å
145M70.6Confident64.7Low156 Ų15699 Ų9977%0.76859%0.589SS**Hα-helixtrans-57.9-26.3176.5-70.8-142.6-148.700112.3M149M145-M149 HydrophobicContact CB-CE 4.4Å; M145-M149 WeakPolarHBondContact O-CB 3.37Å; M145-M149 WeakPolarHBondContact O-CE 3.43Å; M145-M149 WeakPolarHBondContact O-CG 3.32Å; M145-M149 PolarHBondContact O-N 3.3Å
146Q65.9Low64.3Low128 Ų12898.8 Ų98.860%0.59860%0.601SS**Hα-helixtrans-62.4-39.8172.1-70.173.215.300112.3S144 M149 Q150S144-Q146 PolarHBondContact O-N 3.14Å; Q146-M149 PolarHBondContact O-N 2.91Å; Q146-Q150 VanDerWaalsContact O-CB 3.25Å; Q146-Q150 WeakPolarHBondContact O-CB 3.22Å; Q146-Q150 PolarHBondContact O-N 3.47Å
147D73.6Confident64.4Low103 Ų103106.4 Ų106.455%0.55162%0.619SS**Hα-helixtrans-66.3-43.2179.7-122.15.2000111.2S144 Q150 E151S144-D147 WeakPolarHBondContact O-CB 3.48Å; S144-D147 PolarHBondContact O-N 3.45Å; S144-D147 PolarHBondContact OG-N 3.04Å; D147-Q150 WeakPolarHBondContact O-CB 3.39Å; D147-Q150 PolarHBondContact O-N 3.2Å; D147-E151 PolarHBondContact O-N 3.43Å
148V77Confident64.9Low88 Ų88106.1 Ų106.153%0.53362%0.616SS.*Hα-helixtrans-66-38.9176.5-177.20000111.4S144 F152S144-V148 PolarHBondContact O-N 3.2Å; V148-F152 WeakPolarHBondContact O-CB 3.48Å; V148-F152 PolarHBondContact O-N 2.81Å
149M76.6Confident65.1Low117 Ų117107.4 Ų107.458%0.57662%0.621SS**Hα-helixtrans-69.5-33.8173.3-72.7-172.9-68.800112.5M145 Q146 F152 A153M145-M149 HydrophobicContact CB-CE 4.4Å; M145-M149 WeakPolarHBondContact O-CB 3.37Å; M145-M149 WeakPolarHBondContact O-CE 3.43Å; M145-M149 WeakPolarHBondContact O-CG 3.32Å; M145-M149 PolarHBondContact O-N 3.3Å; Q146-M149 PolarHBondContact O-N 2.91Å; M149-F152 PolarHBondContact O-N 3.06Å; M149-A153 WeakPolarHBondContact O-CB 3.41Å; M149-A153 PolarHBondContact O-N 3.47Å
150Q75.8Confident65.1Low120 Ų120108.8 Ų108.856%0.56163%0.633SS**Hα-helixtrans-66.8-45.3175.6-167.170.94600110.6Q146 D147 F152 A153 T154Q146-Q150 VanDerWaalsContact O-CB 3.25Å; Q146-Q150 WeakPolarHBondContact O-CB 3.22Å; Q146-Q150 PolarHBondContact O-N 3.47Å; D147-Q150 WeakPolarHBondContact O-CB 3.39Å; D147-Q150 PolarHBondContact O-N 3.2Å; Q150-F152 PolarHBondContact O-N 3.5Å; Q150-A153 PolarHBondContact O-N 3.03Å; Q150-T154 WeakPolarHBondContact O-CG2 3.44Å; Q150-T154 PolarHBondContact O-N 3.26Å; Q150-T154 PolarHBondContact O-OG1 2.88Å
151E76.6Confident64.9Low123 Ų123107.7 Ų107.758%0.57563%0.627SS**Hα-helixtrans-58.3-47.6173.4-179174-15600111.1D147 A153 T154 N155D147-E151 PolarHBondContact O-N 3.43Å; E151-A153 PolarHBondContact O-N 2.84Å; E151-T154 WeakPolarHBondContact CA-OG1 3.25Å; E151-T154 PolarHBondContact O-N 2.83Å; E151-T154 PolarHBondContact O-OG1 3.29Å; E151-N155 VanDerWaalsContact CG-ND2 3.33Å; E151-N155 WeakPolarHBondContact CG-ND2 3.32Å; E151-N155 PolarHBondContact O-N 3.21Å; E151-N155 VanDerWaalsContact O-N 3.07Å; E151-N155 PolarHBondContact O-ND2 3.41Å
152F73.9Confident65Low150 Ų150112.4 Ų112.466%0.65864%0.64SS**Hα-helixtrans-59.8-43177.1-172.4-96.6000112.7V148 M149 Q150V148-F152 WeakPolarHBondContact O-CB 3.48Å; V148-F152 PolarHBondContact O-N 2.81Å; M149-F152 PolarHBondContact O-N 3.06Å; Q150-F152 PolarHBondContact O-N 3.5Å
153A73.6Confident64.9Low62 Ų62110.8 Ų110.851%0.51263%0.632SS.*Hα-helixtrans-67.6-36.7177.300000113M149 Q150 E151M149-A153 WeakPolarHBondContact O-CB 3.41Å; M149-A153 PolarHBondContact O-N 3.47Å; Q150-A153 PolarHBondContact O-N 3.03Å; E151-A153 PolarHBondContact O-N 2.84Å
154T72.5Confident64.4Low98 Ų98119.5 Ų119.560%0.60165%0.652SS**Hα-helixtrans-77.1-23.2-179.454.90000114.4Q150 E151 G156Q150-T154 WeakPolarHBondContact O-CG2 3.44Å; Q150-T154 PolarHBondContact O-N 3.26Å; Q150-T154 PolarHBondContact O-OG1 2.88Å; E151-T154 WeakPolarHBondContact CA-OG1 3.25Å; E151-T154 PolarHBondContact O-N 2.83Å; E151-T154 PolarHBondContact O-OG1 3.29Å; T154-G156 PolarHBondContact O-N 3.03Å
155N71.1Confident63.1Low97 Ų97126.2 Ų126.252%0.51968%0.679SS.*THydrogen-bonded Turntrans-76.76.7179-81.6-59.2000114.6E151 Y157E151-N155 VanDerWaalsContact CG-ND2 3.33Å; E151-N155 WeakPolarHBondContact CG-ND2 3.32Å; E151-N155 PolarHBondContact O-N 3.21Å; E151-N155 VanDerWaalsContact O-N 3.07Å; E151-N155 PolarHBondContact O-ND2 3.41Å; N155-Y157 WeakPolarHBondContact O-CD2 3.44Å; N155-Y157 PolarHBondContact O-N 2.94Å
156G56.5Low61.5Low66 Ų66123.9 Ų123.968%0.6868%0.678SS**THydrogen-bonded Turntrans77.69.2158.500000117.6T154T154-G156 PolarHBondContact O-N 3.03Å
157Y55.2Low60.3Low201 Ų201129.4 Ų129.479%0.78870%0.695SS**  trans-98.28179.3-70.1-74.8000115N155 S159N155-Y157 WeakPolarHBondContact O-CD2 3.44Å; N155-Y157 PolarHBondContact O-N 2.94Å; Y157-S159 PolarHBondContact O-N 3.05Å
158A63.4Low58.4Low76 Ų76127.8 Ų127.863%0.62870%0.703SS**  trans-70.297.9171.300000110.6
159S54.2Low56.5Low103 Ų103129.4 Ų129.472%0.7272%0.718SS**  trans-109.1110.6170.8-64.60000110Y157 D161Y157-S159 PolarHBondContact O-N 3.05Å; S159-D161 PolarHBondContact O-N 3.49Å
160D52.5Low54.8Low163 Ų163128.5 Ų128.587%0.87273%0.729SS**  trans-75.470.4171.9-73.1-67.4000111.2L162D160-L162 PolarHBondContact O-N 3.16Å
161D45.8Very low53.4Low130 Ų130128.3 Ų128.370%0.69574%0.738SS**  trans-82.770.8174.1-147.2-48.5000110.6S159 G163S159-D161 PolarHBondContact O-N 3.49Å; D161-G163 PolarHBondContact O-N 3.35Å
162L52Low51.9Low183 Ų183128.2 Ų128.296%0.95875%0.748SS**THydrogen-bonded Turntrans-72.830.7176.1-154.974.8000112.2D160D160-L162 PolarHBondContact O-N 3.16Å
163G51Low50.2Low61 Ų61129.5 Ų129.563%0.62976%0.757SS**THydrogen-bonded Turntrans-136.48.8-157.200000116.6D161D161-G163 PolarHBondContact O-N 3.35Å
164R44.4Very low48.4Very low225 Ų225133.2 Ų133.285%0.84977%0.773SS**  trans-144.958.8-179.3-145.7175.5-174.7-140.5-0.8118S166R164-S166 PolarHBondContact O-N 3.33Å; R164-S166 VanDerWaalsContact O-N 3.16Å
165M42.2Very low46.7Very low200 Ų200136.6 Ų136.699%0.98578%0.781SS**  trans-74.794.6158.6-61.2-177.8-171.500110.3
166S37.4Very low45.2Very low107 Ų107140.3 Ų140.375%0.74880%0.798SS**  trans-146.8116.3165.4-149.10000111.1R164R164-S166 PolarHBondContact O-N 3.33Å; R164-S166 VanDerWaalsContact O-N 3.16Å
167Y41.8Very low44.5Very low244 Ų244142.9 Ų142.996%0.95780%0.803SS**  trans-65.5139.9179.4-83.5-105000111.4
168G33.9Very low43.9Very low70 Ų70139.6 Ų139.672%0.72281%0.806SS**  trans177.280.2176.300000117.1
169S35.9Very low42.6Very low121 Ų121143.4 Ų143.485%0.84681%0.811SS**  trans33.6116.5142-51.90000122.9
170A41.1Very low41.6Very low98 Ų98147 Ų14781%0.8182%0.816SS**  trans65.3142.8139.400000121.7
171P46Very low40.7Very low116 Ų116146.8 Ų146.875%0.75381%0.81SS**PPolyproline II helixtrans-92.2153.3-17837-35.5000114
172P46Very low40.2Very low121 Ų121149.2 Ų149.279%0.78682%0.817SS**PPolyproline II helixtrans-83.8139169.933-32.2000112.6
173Q38.4Very low39.4Very low178 Ų178149.2 Ų149.283%0.83281%0.812SS**PPolyproline II helixtrans-83.2155.3165.9-68.3-87.2-72.200110.2
174V35.5Very low38.5Very low140 Ų140155.6 Ų155.685%0.84883%0.825SS**  trans-130.8124.4168.9-177.50000110.2
175Q36.1Very low38Very low168 Ų168153.1 Ų153.179%0.78582%0.823SS**  trans-64.7153.8-176.8-99.284.5-14.500115.3
176M39.9Very low37.5Very low176 Ų176152.7 Ų152.787%0.86782%0.819SS**  trans-108.4148.1150.8-63-139-52.100111
177P41.6Very low37Very low120 Ų120151 Ų15178%0.77982%0.819SS**  trans-91.4160.6171.335-32.5000113.6
178P42.9Very low36.9Very low131 Ų131147.7 Ų147.785%0.85182%0.816SS**  trans-101178.4-166.139.8-37.3000116.3
179Q35.6Very low36.8Very low157 Ų157152.9 Ų152.973%0.73482%0.822SS**  trans-73.2163.7-176.8-60.9-164.4-37.200115.8
180Q33Very low36.7Very low178 Ų178154.6 Ų154.683%0.83282%0.82SS**  trans-132.2121.4141.4-73.6-166.4-15.400111.5
181Q34.9Very low36.8Very low159 Ų159155.4 Ų155.474%0.74382%0.817SS**  trans-91142.7160.5-68177.3-40.700108.7
182H34.8Very low36.1Very low180 Ų180157.7 Ų157.783%0.83382%0.822SS**  trans-135.3137.6155.4-85.794.6000109.9
183Q34.2Very low35.4Very low184 Ų184155.6 Ų155.686%0.8682%0.823SS**  trans-129.9125.9-168175.8-176.972.400107.4
184Q33.1Very low35Very low195 Ų195159 Ų15991%0.91183%0.828SS**  trans-151155.2163.9-134164.964.900112.3
185Q34.3Very low35.1Very low172 Ų172159.7 Ų159.780%0.80483%0.827SS**  trans-138160.6-157.2-179.4-17763.600108.9
186Q31.6Very low35.7Very low192 Ų192157.4 Ų157.490%0.89783%0.827SS**  trans117.3144.3179.6-67.7156.570.500111
187G26.7Very low35.2Very low72 Ų72153.3 Ų153.374%0.74282%0.821SS**  cis156.296.4-4.700000112.8
188L39.7Very low34.9Very low174 Ų174156.5 Ų156.591%0.91183%0.825SS**  trans41.2118.8162-71.3165.1000121.2
189H31.2Very low34.4Very low179 Ų179158.4 Ų158.483%0.82983%0.827SS**  -168.4160.6117.253.5-116.1000113.5
190L35.1Very low34.6Very low156 Ų156160 Ų16082%0.81784%0.835SS**  trans-112.7155.1167.4-13378000108.4
191P42.4Very low34.5Very low116 Ų116157.5 Ų157.575%0.75383%0.832SS**  -147.8173.3116.235.7-18.5000116.9
192L31.1Very low34.8Very low164 Ų164158.1 Ų158.186%0.85984%0.841SS**  trans-54.6132.1-173.9-8249.3000117.6
193G30.6Very low35.3Very low77 Ų77153.4 Ų153.479%0.79484%0.841SS**  37.7120.8119.600000122.6
194R31.8Very low35.1Very low248 Ų248148 Ų14894%0.93683%0.834SS**  trans-155.9134.2149-147.3170.6-176.3172.20.5111.6
195N36.3Very low35.6Very low155 Ų155146.5 Ų146.583%0.82983%0.833SS**  trans-111166.8162.8-92.4-48.8000107.4
196P49.9Very low36Very low120 Ų120146.4 Ų146.478%0.77984%0.836SS**  cis-139.1-160.318.942.5-22.6000114.9
197A28.5Very low37.1Very low90 Ų90145.1 Ų145.174%0.74483%0.832SS**  trans106.299.6154.600000119.4
198Q36Very low38.2Very low188 Ų188147.3 Ų147.388%0.87983%0.834SS**  trans29113.8131.4-63.8-98.5-7700119.6
199L31.9Very low39.1Very low170 Ų170145 Ų14589%0.8982%0.821SS**  trans-156.5132.2134.5-115.5146.5000111.2
200Q39.3Very low40.5Very low191 Ų191140.3 Ų140.389%0.89381%0.807SS**  trans-103109.2-176.2177.2-176.95.600109.3
201T32Very low41.6Very low125 Ų125140.4 Ų140.477%0.76781%0.807SS**  trans-141.9132.217051.70000111.3
202N40.5Very low42.2Very low173 Ų173138 Ų13893%0.92580%0.797SS**  trans-61.4157.4176.7-79.4-46.3000113.2
203G44.3Very low43.4Very low81 Ų81132.8 Ų132.884%0.83577%0.772SS**  trans110.566.8159.700000115.6
204G31.2Very low44.8Very low71 Ų71135.1 Ų135.173%0.73276%0.762SS**  trans-112.3114.3170.400000111.4L206G204-L206 PolarHBondContact O-N 3.34Å; G204-L206 VanDerWaalsContact O-N 3.1Å
205N42.4Very low46.3Very low163 Ų163130.6 Ų130.687%0.87275%0.745SS**  trans-59.9110.8175.1-77.8-63.9000110.9M207N205-M207 PolarHBondContact O-N 3.1Å
206L43.7Very low47.8Very low169 Ų169126.2 Ų126.289%0.88572%0.721SS**  trans-74.3107.4163.2-75166.2000108G204G204-L206 PolarHBondContact O-N 3.34Å; G204-L206 VanDerWaalsContact O-N 3.1Å
207M54.8Low48.4Very low165 Ų165123.4 Ų123.481%0.81370%0.7SS**  trans-54.7124.4169.7-62.5-70.3-82.400108.3N205 I209N205-M207 PolarHBondContact O-N 3.1Å; M207-I209 PolarHBondContact O-N 2.92Å
208P50.5Low50.5Low119 Ų119123 Ų12377%0.77369%0.685SS**  trans-66.2114.1179.825.7-32.5000109.1
209I58.1Low52.2Low124 Ų124120.5 Ų120.564%0.63667%0.668SS**  trans-57.4122.7167.3-60.1174.2000106.2M207 L211M207-I209 PolarHBondContact O-N 2.92Å; I209-L211 PolarHBondContact O-N 2.75Å
210P59.4Low54.2Low82 Ų82119.8 Ų119.853%0.53265%0.654SS.*  trans-61.1141.1-176.923.2-31.3000109.7A212 T213P210-A212 PolarHBondContact O-N 2.92Å; P210-T213 PolarHBondContact O-N 2.82Å; P210-T213 PolarHBondContact O-OG1 3.46Å
211L58.2Low55.6Low158 Ų158116.3 Ų116.383%0.82764%0.638SS**Hα-helixtrans-53.4-27.2-177.6-8476.5000112.5I209 T213 H214I209-L211 PolarHBondContact O-N 2.75Å; L211-T213 PolarHBondContact O-N 3.25Å; L211-T213 VanDerWaalsContact O-N 3.14Å; L211-H214 PolarHBondContact O-N 3.46Å; L211-H214 VanDerWaalsContact O-N 3.08Å
212A56Low57.6Low66 Ų66116.4 Ų116.455%0.54563%0.629SS.*Hα-helixtrans-60.6-12.317300000115.6P210 W215P210-A212 PolarHBondContact O-N 2.92Å; A212-W215 PolarHBondContact O-NE1 3.4Å
213T55.8Low58.9Low53 Ų53112.2 Ų112.233%0.32561%0.606SS.*Hα-helixtrans-100.3-17.6172.6-27.70000112.7P210 L211 L216 N217P210-T213 PolarHBondContact O-N 2.82Å; P210-T213 PolarHBondContact O-OG1 3.46Å; L211-T213 PolarHBondContact O-N 3.25Å; L211-T213 VanDerWaalsContact O-N 3.14Å; T213-L216 PolarHBondContact O-N 2.97Å; T213-N217 PolarHBondContact O-N 3.4Å; T213-N217 PolarHBondContact O-ND2 3Å
214H60.4Low60.1Low126 Ų126113 Ų11358%0.58359%0.591SS**Hα-helixtrans-70-37.3-176.3-166.681000112.5L211 N217 N218L211-H214 PolarHBondContact O-N 3.46Å; L211-H214 VanDerWaalsContact O-N 3.08Å; H214-N217 PolarHBondContact O-N 2.84Å; H214-N218 PolarHBondContact CD2-ND2 2.94Å; H214-N218 PolarHBondContact NE2-ND2 3.36Å; H214-N218 PolarHBondContact O-N 2.87Å; H214-N218 PolarHBondContact O-ND2 3.41Å
215W63.6Low62Low153 Ų153113.7 Ų113.758%0.5858%0.578SS**Hα-helixtrans-67.6-38.5175.574.8-88.6000112.4A212 N217 N218 Y219A212-W215 PolarHBondContact O-NE1 3.4Å; W215-N217 VanDerWaalsContact C-N 3.34Å; W215-N217 PolarHBondContact O-N 3.46Å; W215-N218 PolarHBondContact O-N 3.1Å; W215-Y219 WeakPolarHBondContact O-CB 3.15Å; W215-Y219 PolarHBondContact O-N 2.94Å
216L66.1Low63.5Low63 Ų63109.1 Ų109.133%0.3356%0.556SS.*Hα-helixtrans-63.8-38.1176.6-88157.5000112.4T213 R220T213-L216 PolarHBondContact O-N 2.97Å; L216-R220 WeakPolarHBondContact O-CB 3.27Å; L216-R220 WeakPolarHBondContact O-CG 3.36Å; L216-R220 PolarHBondContact O-N 2.92Å
217N64.4Low64.6Low61 Ų61109.8 Ų109.833%0.32655%0.547SS..Hα-helixtrans-71.4-47.7176.1-68.9-24.9000111.3T213 H214 W215 Y219 R220 E221T213-N217 PolarHBondContact O-N 3.4Å; T213-N217 PolarHBondContact O-ND2 3Å; H214-N217 PolarHBondContact O-N 2.84Å; W215-N217 VanDerWaalsContact C-N 3.34Å; W215-N217 PolarHBondContact O-N 3.46Å; N217-Y219 VanDerWaalsContact C-N 3.28Å; N217-Y219 PolarHBondContact O-N 2.93Å; N217-R220 PolarHBondContact O-N 3.12Å; N217-E221 WeakPolarHBondContact O-CG 3.44Å; N217-E221 PolarHBondContact O-N 3.46Å
218N71.3Confident65.2Low81 Ų81109.6 Ų109.643%0.43354%0.537SS..Hα-helixtrans-55.7-42.7173.2-86.9-96.3000112.1H214 W215 E221 H222H214-N218 PolarHBondContact CD2-ND2 2.94Å; H214-N218 PolarHBondContact NE2-ND2 3.36Å; H214-N218 PolarHBondContact O-N 2.87Å; H214-N218 PolarHBondContact O-ND2 3.41Å; W215-N218 PolarHBondContact O-N 3.1Å; N218-E221 PolarHBondContact O-N 3.05Å; N218-H222 VanDerWaalsContact O-CB 3.32Å; N218-H222 WeakPolarHBondContact O-CB 3.48Å; N218-H222 PolarHBondContact O-N 3.45Å
219Y73Confident65.8Low136 Ų136109.8 Ų109.853%0.53353%0.532SS..Hα-helixtrans-66.5-42.7179.1-171.8-107.1000112.1W215 N217 E221 H222 L223W215-Y219 WeakPolarHBondContact O-CB 3.15Å; W215-Y219 PolarHBondContact O-N 2.94Å; N217-Y219 VanDerWaalsContact C-N 3.28Å; N217-Y219 PolarHBondContact O-N 2.93Å; Y219-E221 PolarHBondContact O-N 3.37Å; Y219-H222 PolarHBondContact O-N 3.37Å; Y219-L223 HydrophobicContact CD1-CD1 3.99Å; Y219-L223 HydrophobicContact CE1-CD1 3.53Å; Y219-L223 HydrophobicContact CE1-CG 4.22Å; Y219-L223 WeakPolarHBondContact O-CG 3.33Å; Y219-L223 PolarHBondContact O-N 3.37Å
220R72.3Confident65.7Low155 Ų155110.4 Ų110.459%0.58553%0.534SS*.Hα-helixtrans-61-42.5173.2-80.3173.5170159.1-2.8112.4L216 N217 N224L216-R220 WeakPolarHBondContact O-CB 3.27Å; L216-R220 WeakPolarHBondContact O-CG 3.36Å; L216-R220 PolarHBondContact O-N 2.92Å; N217-R220 PolarHBondContact O-N 3.12Å; R220-N224 PolarHBondContact O-N 3.05Å; R220-N224 PolarHBondContact O-ND2 3.01Å
221E69.4Low65.5Low119 Ų119109.9 Ų109.956%0.55653%0.532SS*.Hα-helixtrans-67.3-41.1177.3-72.1170.2-157.400111.4N217 N218 Y219 L223 N224 N225N217-E221 WeakPolarHBondContact O-CG 3.44Å; N217-E221 PolarHBondContact O-N 3.46Å; N218-E221 PolarHBondContact O-N 3.05Å; Y219-E221 PolarHBondContact O-N 3.37Å; E221-L223 PolarHBondContact O-N 2.96Å; E221-N224 PolarHBondContact O-N 2.84Å; E221-N225 PolarHBondContact O-N 3.38Å; E221-N225 PolarHBondContact O-ND2 3.3Å; E221-N225 VanDerWaalsContact O-ND2 3.14Å
222H74.1Confident65.1Low126 Ų126112.2 Ų112.258%0.58353%0.531SS*.Hα-helixtrans-61.2-45.5175.8-160.285.8000112N218 Y219 N224 N225 V226N218-H222 VanDerWaalsContact O-CB 3.32Å; N218-H222 WeakPolarHBondContact O-CB 3.48Å; N218-H222 PolarHBondContact O-N 3.45Å; Y219-H222 PolarHBondContact O-N 3.37Å; H222-N224 PolarHBondContact O-N 3.01Å; H222-N225 PolarHBondContact O-N 3.42Å; H222-V226 WeakPolarHBondContact O-CG2 3.4Å; H222-V226 PolarHBondContact O-N 3.49Å
223L68.3Low64.9Low85 Ų85115.1 Ų115.145%0.44554%0.536SS..Hα-helixtrans-63.2-39.3175.2-69.6-179.3000112.6Y219 E221 N225 V226 W227Y219-L223 HydrophobicContact CD1-CD1 3.99Å; Y219-L223 HydrophobicContact CE1-CD1 3.53Å; Y219-L223 HydrophobicContact CE1-CG 4.22Å; Y219-L223 WeakPolarHBondContact O-CG 3.33Å; Y219-L223 PolarHBondContact O-N 3.37Å; E221-L223 PolarHBondContact O-N 2.96Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-N225 PolarHBondContact O-N 2.94Å; L223-V226 PolarHBondContact O-N 2.97Å; L223-W227 WeakPolarHBondContact O-CB 3.35Å; L223-W227 PolarHBondContact O-N 3.46Å
224N68.9Low64.2Low97 Ų97118 Ų11852%0.51956%0.556SS.*Hα-helixtrans-64.9-37.1174.8-85.3-81.2000112.3R220 E221 H222 W227 R228R220-N224 PolarHBondContact O-N 3.05Å; R220-N224 PolarHBondContact O-ND2 3.01Å; E221-N224 PolarHBondContact O-N 2.84Å; H222-N224 PolarHBondContact O-N 3.01Å; N224-W227 PolarHBondContact O-N 3.27Å; N224-R228 WeakPolarHBondContact O-CB 3.45Å; N224-R228 WeakPolarHBondContact O-CG 3.5Å; N224-R228 PolarHBondContact O-N 3.47Å
225N71.4Confident63.5Low86 Ų86116.7 Ų116.746%0.4657%0.567SS.*Hα-helixtrans-69.5-40.6176.1-73.2-37.3000112.2E221 H222 L223 R228 N229E221-N225 PolarHBondContact O-N 3.38Å; E221-N225 PolarHBondContact O-ND2 3.3Å; E221-N225 VanDerWaalsContact O-ND2 3.14Å; H222-N225 PolarHBondContact O-N 3.42Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-N225 PolarHBondContact O-N 2.94Å; N225-R228 PolarHBondContact O-N 3.33Å; N225-N229 WeakPolarHBondContact O-CB 3.49Å; N225-N229 VanDerWaalsContact O-CG 3.3Å; N225-N229 PolarHBondContact O-N 2.9Å
226V74.8Confident62.7Low68 Ų68113.2 Ų113.241%0.41257%0.571SS.*Hα-helixtrans-61.9-43.8172.4172.70000110.8H222 L223 N229 M230H222-V226 WeakPolarHBondContact O-CG2 3.4Å; H222-V226 PolarHBondContact O-N 3.49Å; L223-V226 PolarHBondContact O-N 2.97Å; V226-N229 PolarHBondContact O-N 2.91Å; V226-M230 WeakPolarHBondContact O-CB 3.38Å; V226-M230 PolarHBondContact O-N 3.01Å
227W66Low61.9Low183 Ų183115.6 Ų115.669%0.69359%0.59SS**Hα-helixtrans-64.7-40.5177.7-172.985.5000112.9L223 N224 M230 S231L223-W227 WeakPolarHBondContact O-CB 3.35Å; L223-W227 PolarHBondContact O-N 3.46Å; N224-W227 PolarHBondContact O-N 3.27Å; W227-M230 PolarHBondContact O-N 2.96Å; W227-S231 PolarHBondContact O-N 3.43Å; W227-S231 VanDerWaalsContact O-N 3.09Å; W227-S231 PolarHBondContact O-OG 3.34Å
228R67.9Low61.2Low161 Ų161120.5 Ų120.561%0.60862%0.616SS**Hα-helixtrans-63.6-40.5173.4-81.6177.1147.2-150-7.7112.9N224 N225 S231 Y232N224-R228 WeakPolarHBondContact O-CB 3.45Å; N224-R228 WeakPolarHBondContact O-CG 3.5Å; N224-R228 PolarHBondContact O-N 3.47Å; N225-R228 PolarHBondContact O-N 3.33Å; R228-S231 WeakPolarHBondContact CA-OG 3.48Å; R228-S231 PolarHBondContact O-N 3.35Å; R228-S231 PolarHBondContact O-OG 3.5Å; R228-S231 VanDerWaalsContact O-OG 3.08Å; R228-Y232 PolarHBondContact O-N 2.91Å
229N61.8Low59.8Low123 Ų123122.5 Ų122.566%0.65863%0.631SS**Hα-helixtrans-73.2-32.1178.1-70.3-2.8000112.1N225 V226 S231 Y232N225-N229 WeakPolarHBondContact O-CB 3.49Å; N225-N229 VanDerWaalsContact O-CG 3.3Å; N225-N229 PolarHBondContact O-N 2.9Å; V226-N229 PolarHBondContact O-N 2.91Å; N229-S231 VanDerWaalsContact C-N 3.33Å; N229-Y232 PolarHBondContact O-N 3.32Å
230M56Low58.5Low137 Ų137125.8 Ų125.868%0.67565%0.654SS**Hα-helixtrans-71.9-26.1175-15675.177.300112.9V226 W227V226-M230 WeakPolarHBondContact O-CB 3.38Å; V226-M230 PolarHBondContact O-N 3.01Å; W227-M230 PolarHBondContact O-N 2.96Å
231S55.3Low56.8Low70 Ų70121.5 Ų121.549%0.4966%0.658SS.*THydrogen-bonded Turntrans-86.9-4.8177.743.70000114.3W227 R228 N229W227-S231 PolarHBondContact O-N 3.43Å; W227-S231 VanDerWaalsContact O-N 3.09Å; W227-S231 PolarHBondContact O-OG 3.34Å; R228-S231 WeakPolarHBondContact CA-OG 3.48Å; R228-S231 PolarHBondContact O-N 3.35Å; R228-S231 PolarHBondContact O-OG 3.5Å; R228-S231 VanDerWaalsContact O-OG 3.08Å; N229-S231 VanDerWaalsContact C-N 3.33Å
232Y51.1Low55.7Low207 Ų207124.1 Ų124.181%0.81268%0.675SS**  trans-117.559175.2-90.5-89.3000112.5R228 N229R228-Y232 PolarHBondContact O-N 2.91Å; N229-Y232 PolarHBondContact O-N 3.32Å
233I49.9Very low53.8Low128 Ų128126.6 Ų126.666%0.65669%0.687SS**  trans-109.9105.1160.1-57.4178.3000107.7A235I233-A235 PolarHBondContact O-N 2.99Å
234P42.4Very low52.5Low114 Ų114126.9 Ų126.974%0.7470%0.702SS**  trans-68.1124.1169.328.5-31.5000108.6A236P234-A236 PolarHBondContact O-N 3.38Å
235A45.1Very low51Low98 Ų98131.5 Ų131.581%0.8172%0.72SS**  trans-67100.9177.700000110.2I233 P237I233-A235 PolarHBondContact O-N 2.99Å; A235-P237 WeakPolarHBondContact O-CD 3.41Å
236A48Very low49.4Very low80 Ų80134.4 Ų134.466%0.66174%0.741SS**  trans-71.8122.317200000109.8P234 N238P234-A236 PolarHBondContact O-N 3.38Å; A236-N238 PolarHBondContact O-N 3.22Å
237P49.2Very low47.5Very low113 Ų113135.3 Ų135.373%0.73476%0.756SS**  trans-75.5109.2177.829.4-32.6000110.4A235 T239A235-P237 WeakPolarHBondContact O-CD 3.41Å; P237-T239 PolarHBondContact O-N 2.9Å; P237-T239 VanDerWaalsContact O-N 3.12Å
238N48Very low46Very low164 Ų164131.7 Ų131.788%0.87777%0.765SS**  trans-76.690.6165.6-75.9-59.1000109.6A236A236-N238 PolarHBondContact O-N 3.22Å
239T42.3Very low44.5Very low123 Ų123130.4 Ų130.476%0.75578%0.775SS**  trans-117.895.9166.949.20000110.4P237 G241P237-T239 PolarHBondContact O-N 2.9Å; P237-T239 VanDerWaalsContact O-N 3.12Å; T239-G241 PolarHBondContact O-N 3.5Å
240M45.2Very low43.2Very low204 Ų204131.6 Ų131.6100%1.00579%0.786SS**  trans-67.1118.7154.1-74.7-175.4168.100108
241G37.3Very low42.1Very low66 Ų66130.9 Ų130.968%0.6880%0.795SS**  trans-159.7134177.400000109.8T239T239-G241 PolarHBondContact O-N 3.5Å
242L46.1Very low41.3Very low174 Ų174134.4 Ų134.491%0.91181%0.814SS**  trans-66.2133.3-177.7-70.877.6000110.6
243Q35Very low40.4Very low178 Ų178131.2 Ų131.283%0.83281%0.811SS**  trans-137.1112.6155.8-164.578.916.700108.7
244A41Very low39.6Very low91 Ų91133.1 Ų133.175%0.75282%0.821SS**  trans-65.3133.517400000110.1T246A244-T246 PolarHBondContact O-N 3Å
245Q38.1Very low39.1Very low194 Ų194131.2 Ų131.291%0.90782%0.823SS**  trans-90.6102175.6-70.6-176-2.900110.5
246T35.8Very low38.6Very low147 Ų147133.7 Ų133.790%0.90283%0.828SS**  trans-89.395.915947.50000109.2A244A244-T246 PolarHBondContact O-N 3Å
247A36.3Very low37.9Very low87 Ų87132.8 Ų132.872%0.71983%0.826SS**  trans-140.1100.5167.200000108.8T249A247-T249 PolarHBondContact O-N 2.85Å
248A35Very low37.4Very low106 Ų106136.6 Ų136.688%0.87684%0.836SS**  trans-76.5120175.500000110.1
249T35.7Very low36.7Very low134 Ų134132 Ų13282%0.82283%0.827SS**  trans-127.6119.5157.844.70000109A247A247-T249 PolarHBondContact O-N 2.85Å
250V33.3Very low36.3Very low148 Ų148135.1 Ų135.190%0.89784%0.838SS**  trans-72.8129174.8-100.10000109.7
251S33.9Very low35.7Very low123 Ų123129.4 Ų129.486%0.8683%0.832SS**  trans-153.4150.6161.4-80.80000110.1
252T37.7Very low35.5Very low144 Ų144134.2 Ų134.288%0.88384%0.841SS**  trans-91.3146.7-151.943.10000115.5
253N33.9Very low35.9Very low139 Ų139131 Ų13174%0.74383%0.83SS**  trans-55.3135.6167.8176.39.1000113
254L32.4Very low35.9Very low168 Ų168127.4 Ų127.488%0.8882%0.821SS**  trans-175.8126.3130.1-120.867000111.3
255G32.6Very low35.4Very low75 Ų75132 Ų13277%0.77383%0.826SS**  trans167.7101.2173.200000114.8
256V34.4Very low35.2Very low150 Ų150125.6 Ų125.691%0.90981%0.813SS**  trans-91.2144.2-174.5175.10000112.5
257G32.7Very low35Very low61 Ų61126.3 Ų126.363%0.62981%0.806SS**  trans158.3103.9165.200000111.8
258M38Very low34.8Very low193 Ų193129.5 Ų129.595%0.95181%0.806SS**  50.6117.585.4-57.6-72.8-165.600112.6
259G33.5Very low34.8Very low67 Ų67130.9 Ų130.969%0.69180%0.798SS**  cis164.6168.3-3.300000111.1
260L34.5Very low34.7Very low188 Ų188135.3 Ų135.398%0.98480%0.8SS**  trans55.1125.5157.1-50.6177.1000120.1
261G32.3Very low34.6Very low84 Ų84132.2 Ų132.287%0.86680%0.798SS**  trans163.151.8165.900000119.7
262L34.3Very low34.5Very low167 Ų167130.9 Ų130.987%0.87479%0.794SS**  trans-88.9175.4156.5-88.8170.1000109
263P54.1Low34.7Very low106 Ų106129.2 Ų129.269%0.68879%0.788SS**  cis-138.4-156.2-8.720.28.2000113.4
264V34.6Very low34.9Very low103 Ų103130.2 Ų130.262%0.62479%0.794SS**  trans106.5108.4142.1178.70000120.3
265Q30.6Very low35Very low187 Ų187128.3 Ų128.387%0.87480%0.795SS**  46.1156127.7-54.1162.1-0.900121
266G34.2Very low35.7Very low61 Ų61130.1 Ų130.163%0.62980%0.795SS**  cis171164.1-2.600000112.7
267E31.2Very low36.2Very low161 Ų161130.5 Ų130.575%0.75279%0.792SS**  trans32.1131156.2-9675.4166.300124.8
268Q32.6Very low36.7Very low155 Ų155134.7 Ų134.772%0.72480%0.8SS**  93121.3124.9-80.5165.9-3.700124.1
269L34.1Very low36.9Very low135 Ų135133.3 Ų133.371%0.70780%0.797SS**  trans68.1156.3134.5-61.2166.9000117.4
270R34.3Very low37.7Very low227 Ų227137.5 Ų137.586%0.85780%0.803SS**  cis-167.2134-19.6161.5-173.8-76.8-138.10.6105.2
271G30.5Very low38.4Very low83 Ų83135.8 Ų135.886%0.85680%0.795SS**  trans-165109.7175.900000111.8
272A32.8Very low39.4Very low94 Ų94140 Ų14078%0.77780%0.798SS**  trans-126.2138.1-173.500000111.9
273S40.8Very low40.3Very low110 Ų110138.6 Ų138.677%0.76979%0.791SS**  trans-159.797.1156.344.60000107.1
274N38.6Very low40Very low160 Ų160142.1 Ų142.186%0.85680%0.795SS**  86.9109.187.5-79.4-0.3000112.7
275S35.3Very low40.9Very low128 Ų128143.4 Ų143.490%0.89580%0.804SS**  trans-146.1121.9145.4-158.30000108.9
276S46.9Very low41.9Very low113 Ų113144 Ų14479%0.7980%0.799SS**  trans-72143.7-173.6-58.80000112
277N43.5Very low42.5Very low157 Ų157150.1 Ų150.184%0.8481%0.808SS**  trans-157.1152.8132.4-119.7-36.5000114.5
278N45.2Very low43.5Very low149 Ų149152.6 Ų152.680%0.79781%0.811SS**  trans-63136.2-175.2-78.3-56.8000113.1
279N40.5Very low44.3Very low164 Ų164155.7 Ų155.788%0.87782%0.817SS**  trans-124.375167.4-94.6-29.6000111.3
280N51.5Low45Very low155 Ų155155.6 Ų155.683%0.82982%0.817SS**  trans-93.2101.8155.8-93.5-15000108.3
281N48.5Very low45.6Very low153 Ų153150.4 Ų150.482%0.81882%0.816SS**  trans-174.669.9153.1-97.1-36.8000112.2N283N281-N283 PolarHBondContact O-N 2.89Å
282N53.1Low46.5Very low173 Ų173154.9 Ų154.993%0.92581%0.812SS**  trans-73.668.1163-84.9-23.7000110.5
283N53.1Low47.4Very low136 Ų136154.9 Ų154.973%0.72781%0.812SS**  trans-164.396.6165.9-122.9-23.8000113.5N281N281-N283 PolarHBondContact O-N 2.89Å
284K48.1Very low47.7Very low180 Ų180158.2 Ų158.278%0.78381%0.813SS**  trans166.187.8143.5-90.5150.7-170164.80111.2Y286K284-Y286 PolarHBondContact O-N 3.38Å
285V53.8Low48.4Very low131 Ų131159.2 Ų159.279%0.79481%0.812SS**SBendtrans-75.8-2.3170.2172.90000112.1
286Y52.5Low49.5Very low200 Ų200159.3 Ų159.378%0.78480%0.801SS**  trans-123.757.1-170.3-27.4-72.4000113.7K284K284-Y286 PolarHBondContact O-N 3.38Å
287K46.1Very low50.4Low188 Ų188158.4 Ų158.482%0.81780%0.795SS**  trans-153.456.4163.6-132.1168.1-173.2174.10115.6
288R51.5Low52.1Low214 Ų214158.8 Ų158.881%0.80879%0.785SS**  trans-110.6126.5150.5-48.9-177.6-172.1-169.42.2103.8
289Y50Low54.4Low220 Ų220154.4 Ų154.486%0.86376%0.759SS**SBendcis-142.7111.528.6-43.7-92.4000109.7
290N48.3Very low57Low132 Ų132146.6 Ų146.671%0.70672%0.718SS**  trans-150.962.5160.1-164.3-19.4000108.6K292N290-K292 PolarHBondContact O-N 2.69Å; N290-K292 PolarHBondContact OD1-N 3.42Å
291S47.8Very low59Low118 Ų118143.2 Ų143.283%0.82570%0.702SS**  trans-69.593.7152.9-72.30000106A293S291-A293 PolarHBondContact O-N 2.82Å
292K49.2Very low61.2Low178 Ų178138.2 Ų138.277%0.77467%0.673SS**  trans-46.3119.9145.7-69.8-172.5177.2-177.90104.7N290 K294N290-K292 PolarHBondContact O-N 2.69Å; N290-K292 PolarHBondContact OD1-N 3.42Å; K292-K294 PolarHBondContact O-N 3.43Å
293A52.1Low63.2Low94 Ų94130 Ų13078%0.77763%0.629SS**  trans-51.2112.9174.600000105.5S291 E295S291-A293 PolarHBondContact O-N 2.82Å; A293-E295 VanDerWaalsContact C-N 3.35Å; A293-E295 PolarHBondContact O-N 3.07Å
294K47Very low65.2Low180 Ų180128.1 Ų128.178%0.78362%0.616SS**  trans-57.8112.7173.5-174-172.3-177.9-162.90102.9K292 I296K292-K294 PolarHBondContact O-N 3.43Å; K294-I296 WeakPolarHBondContact O-CG1 3.47Å; K294-I296 PolarHBondContact O-N 2.92Å
295E52.5Low67.4Low180 Ų180125.6 Ų125.684%0.84161%0.611SS**  trans-61.195.6172.6-176172.1-160.800104.7A293 S297A293-E295 VanDerWaalsContact C-N 3.35Å; A293-E295 PolarHBondContact O-N 3.07Å; E295-S297 PolarHBondContact O-N 3.43Å
296I58.8Low69.3Low130 Ų130123.3 Ų123.367%0.66760%0.595SS**  trans-70.792.9174-68150.9000101.9K294 R298K294-I296 WeakPolarHBondContact O-CG1 3.47Å; K294-I296 PolarHBondContact O-N 2.92Å; I296-R298 VanDerWaalsContact O-CG 3.25Å; I296-R298 WeakPolarHBondContact O-CG 3.42Å; I296-R298 PolarHBondContact O-N 2.89Å
297S64.6Low71.3Confident95 Ų95120.9 Ų120.966%0.66460%0.595SS**  trans-50.8103.8-177.538.60000107.9E295 H299E295-S297 PolarHBondContact O-N 3.43Å; S297-H299 PolarHBondContact O-N 3.05Å
298R80.6Confident73.6Confident164 Ų164114.2 Ų114.262%0.61957%0.567SS**  trans-80.364.8-176.8-65.3-164.7178.8-166.2-0.1108.2I296 I313 N314 S315 H316I296-R298 VanDerWaalsContact O-CG 3.25Å; I296-R298 WeakPolarHBondContact O-CG 3.42Å; I296-R298 PolarHBondContact O-N 2.89Å; R298-I313 VanDerWaalsContact O-O 3.1Å; R298-N314 CarbonylContact O-C 2.9Å; R298-N314 WeakPolarHBondContact O-CA 3.32Å; R298-N314 VanDerWaalsContact O-O 3.14Å; R298-S315 PolarHBondContact O-N 2.82Å; R298-H316 CarbonylContact C-O 3.19Å; R298-H316 CarbonylContact O-C 3.31Å; R298-H316 VanDerWaalsContact O-C 3.31Å; R298-H316 PolarHBondContact O-N 2.87Å
299H92.5Very high75.5Confident58 Ų58107.8 Ų107.827%0.26955%0.553SS.*  trans-96.8128.9-172.1165.484.5000110.4S297 V301 E304 I313 H316S297-H299 PolarHBondContact O-N 3.05Å; H299-V301 WeakPolarHBondContact NE2-CG2 3.42Å; H299-V301 PolarHBondContact NE2-N 2.93Å; H299-E304 VanDerWaalsContact CE1-CD 3.48Å; H299-E304 IonicContact CE1-OE1 2.7Å; H299-E304 IonicContact CE1-OE2 3.48Å; H299-E304 PolarHBondContact CE1-OE2 3.48Å; H299-E304 VanDerWaalsContact CE1-OE2 3.28Å; H299-E304 IonicContact NE2-OE2 3.27Å; H299-E304 PolarHBondContact NE2-OE2 2.89Å; H299-I313 CarbonylContact C-O 3.54Å; H299-I313 WeakPolarHBondContact CA-O 3.42Å; H299-I313 WeakPolarHBondContact ND1-CG2 3.28Å; H299-H316 CarbonylContact C-O 3.19Å
300C95.1Very high77.6Confident0 Ų0104.1 Ų104.10%054%0.544CS..  trans-109.297.5179.9-1730000111.7F302 C303 E304 I313 H316C300-F302 PolarHBondContact O-N 3.23Å; C300-F302 VanDerWaalsContact O-N 3.12Å; C300-C303 HydrophobicContact CB-CB 3.99Å; C300-C303 PolarHBondContact O-N 2.82Å; C300-C303 PolarHBondContact SG-N 3.01Å; C300-C303 VanDerWaalsContact SG-N 3.44Å; C300-E304 PolarHBondContact O-N 3.28Å; C300-I313 PolarHBondContact N-O 3.48Å; C300-H316 WeakPolarHBondContact CB-NE2 3.37Å; C300-H316 VanDerWaalsContact CB-O 3.26Å; C300-H316 WeakPolarHBondContact CB-O 3.47Å; C300-H316 PolarHBondContact N-O 2.94Å; C300-H316 VanDerWaalsContact N-O 3.17Å; C300-H316 PolarHBondContact SG-NE2 3.5Å
301V94.5Very high79.6Confident83 Ų83101.9 Ų101.950%0.50354%0.543SS..Hα-helixtrans-52.4-33.7173.5-172.80000112.1H299 E304 N305 V318H299-V301 WeakPolarHBondContact NE2-CG2 3.42Å; H299-V301 PolarHBondContact NE2-N 2.93Å; V301-E304 PolarHBondContact O-N 3Å; V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.32Å; V301-V318 HydrophobicContact CB-CG2 4.22Å
302F95Very high81.6Confident49 Ų4998.5 Ų98.522%0.21552%0.518CS..Hα-helixtrans-68.4-39.9177.2-175.4-96.4000112.4C300 N306 V318 K329 L330 T347C300-F302 PolarHBondContact O-N 3.23Å; C300-F302 VanDerWaalsContact O-N 3.12Å; F302-N306 VanDerWaalsContact CE1-ND2 3.28Å; F302-N306 WeakPolarHBondContact CE1-ND2 3.3Å; F302-N306 WeakPolarHBondContact CZ-ND2 3.32Å; F302-N306 PolarHBondContact O-N 3.01Å; F302-N306 PolarHBondContact O-ND2 3.48Å; F302-V318 HydrophobicContact CB-CG1 4.43Å; F302-V318 HydrophobicContact CB-CG2 4.3Å; F302-K329 HydrophobicContact CD1-CB 4.45Å; F302-K329 HydrophobicContact CE1-CB 4.01Å; F302-L330 HydrophobicContact CD1-CB 4.04Å; F302-L330 HydrophobicContact CD2-CD1 4.49Å; F302-L330 HydrophobicContact CE1-CB 3.96Å; F302-L330 HydrophobicContact CE1-CD1 4.5Å; F302-L330 HydrophobicContact CE2-CD1 4.01Å; F302-L330 HydrophobicContact CG-CB 4.45Å; F302-L330 HydrophobicContact CZ-CB 4.32Å; F302-L330 HydrophobicContact CZ-CD1 4Å; F302-T347 HydrophobicContact CE2-CG2 3.79Å; F302-T347 HydrophobicContact CZ-CG2 4.3Å
303C94.6Very high83.8Confident0 Ų091 Ų910%049%0.486CS..Hα-helixtrans-73.8-34.1174.9-75.40000111.8C300 N306 N307 E308 V312 I313 C327C300-C303 HydrophobicContact CB-CB 3.99Å; C300-C303 PolarHBondContact O-N 2.82Å; C300-C303 PolarHBondContact SG-N 3.01Å; C300-C303 VanDerWaalsContact SG-N 3.44Å; C303-N306 CarbonylContact O-C 3.55Å; C303-N306 PolarHBondContact O-N 3.45Å; C303-N307 PolarHBondContact O-N 2.93Å; C303-E308 HydrophobicContact CB-CB 3.97Å; C303-E308 HydrophobicContact CB-CG 4.01Å; C303-E308 WeakPolarHBondContact O-CB 3.36Å; C303-E308 PolarHBondContact O-N 3.41Å; C303-V312 HydrophobicContact CB-CG1 4.42Å; C303-I313 HydrophobicContact CB-CG1 4.18Å; C303-C327 VanDerWaalsContact SG-SG 3.65Å
304E94.1Very high85.8Confident96 Ų9690 Ų9045%0.44947%0.468SS..Hα-helixtrans-61-50173.9-179.5179.3-12600111.8H299 C300 V301 N306 N307 I313H299-E304 VanDerWaalsContact CE1-CD 3.48Å; H299-E304 IonicContact CE1-OE1 2.7Å; H299-E304 IonicContact CE1-OE2 3.48Å; H299-E304 PolarHBondContact CE1-OE2 3.48Å; H299-E304 VanDerWaalsContact CE1-OE2 3.28Å; H299-E304 IonicContact NE2-OE2 3.27Å; H299-E304 PolarHBondContact NE2-OE2 2.89Å; C300-E304 PolarHBondContact O-N 3.28Å; V301-E304 PolarHBondContact O-N 3Å; E304-N306 PolarHBondContact O-N 2.92Å; E304-N307 PolarHBondContact O-N 3.25Å; E304-I313 HydrophobicContact CB-CD1 4.06Å; E304-I313 HydrophobicContact CB-CG1 4.37Å; E304-I313 HydrophobicContact CB-CG2 4.08Å; E304-I313 HydrophobicContact CG-CD1 4.41Å
305N95.2Very high87.9Confident128 Ų12884.4 Ų84.468%0.68445%0.451SS*.Hα-helixtrans-63.6-21.8177.2-172.288.9000113.3V301V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.32Å
306N93.1Very high89.8Confident82 Ų8276.9 Ų76.944%0.43942%0.416SS..THydrogen-bonded Turntrans-92.47.2174.4-72.8-52.5000113.3F302 C303 E304 E308F302-N306 VanDerWaalsContact CE1-ND2 3.28Å; F302-N306 WeakPolarHBondContact CE1-ND2 3.3Å; F302-N306 WeakPolarHBondContact CZ-ND2 3.32Å; F302-N306 PolarHBondContact O-N 3.01Å; F302-N306 PolarHBondContact O-ND2 3.48Å; C303-N306 CarbonylContact O-C 3.55Å; C303-N306 PolarHBondContact O-N 3.45Å; E304-N306 PolarHBondContact O-N 2.92Å; N306-E308 HydrophobicContact CB-CG 4.35Å; N306-E308 PolarHBondContact O-N 2.96Å
307N94.3Very high91.4Very high150 Ų15072.7 Ų72.780%0.80240%0.398SS*.THydrogen-bonded Turntrans52.434.6-177.6-58114.8000114.3C303 E304C303-N307 PolarHBondContact O-N 2.93Å; E304-N307 PolarHBondContact O-N 3.25Å
308E94.2Very high92.8Very high48 Ų4870 Ų7022%0.22438%0.377CS..  trans-63.6155.7169.2-67.6-80.1-177.600110.3C303 N306 V312 I313 K329C303-E308 HydrophobicContact CB-CB 3.97Å; C303-E308 HydrophobicContact CB-CG 4.01Å; C303-E308 WeakPolarHBondContact O-CB 3.36Å; C303-E308 PolarHBondContact O-N 3.41Å; N306-E308 HydrophobicContact CB-CG 4.35Å; N306-E308 PolarHBondContact O-N 2.96Å; E308-V312 HydrophobicContact CB-CB 4.34Å; E308-V312 HydrophobicContact CB-CG1 4.17Å; E308-I313 HydrophobicContact CB-CG1 4.46Å; E308-I313 WeakPolarHBondContact O-CD1 3.47Å; E308-K329 VanDerWaalsContact OE1-CE 3.25Å; E308-K329 WeakPolarHBondContact OE1-CE 3.41Å; E308-K329 IonicContact OE1-NZ 3.42Å; E308-K329 PolarHBondContact OE1-NZ 3.22Å; E308-K329 IonicContact OE2-NZ 2.71Å
309P92.8Very high93.4Very high79 Ų7968.5 Ų68.551%0.51337%0.372SS..  trans-62.5148.6179.925.6-34.5000111.8A311 V312 I313P309-A311 PolarHBondContact O-N 3.2Å; P309-A311 VanDerWaalsContact O-N 3.07Å; P309-V312 HydrophobicContact CG-CB 4.22Å; P309-V312 HydrophobicContact CG-CG2 3.85Å; P309-V312 WeakPolarHBondContact O-CA 3.38Å; P309-V312 WeakPolarHBondContact O-CB 3.48Å; P309-V312 PolarHBondContact O-N 3Å; P309-I313 PolarHBondContact O-N 3.45Å; P309-I313 VanDerWaalsContact O-N 3.08Å
310E92.3Very high93.4Very high142 Ų14267.5 Ų67.566%0.66437%0.368SS*.Hα-helixtrans-52.9-36.2-176-173.7-179.9179.400113.4V312 I313 N314E310-V312 PolarHBondContact O-N 3.04Å; E310-I313 PolarHBondContact O-N 3.28Å; E310-N314 VanDerWaalsContact CG-ND2 3.31Å; E310-N314 WeakPolarHBondContact CG-ND2 3.42Å; E310-N314 WeakPolarHBondContact O-CB 3.46Å; E310-N314 PolarHBondContact O-N 3.26Å; E310-N314 PolarHBondContact OE1-ND2 3.15Å
311A90.4Very high93.2Very high85 Ų8575 Ų7570%0.70241%0.409SS*.Hα-helixtrans-59.6-31.7174.600000113.6P309 S315P309-A311 PolarHBondContact O-N 3.2Å; P309-A311 VanDerWaalsContact O-N 3.07Å; A311-S315 WeakPolarHBondContact O-CB 3.4Å
312V91.5Very high92.9Very high47 Ų4778.7 Ų78.729%0.28542%0.418SS..Hα-helixtrans-82-43.1174173.50000110.4C303 E308 P309 E310 N314 S315 H316C303-V312 HydrophobicContact CB-CG1 4.42Å; E308-V312 HydrophobicContact CB-CB 4.34Å; E308-V312 HydrophobicContact CB-CG1 4.17Å; P309-V312 HydrophobicContact CG-CB 4.22Å; P309-V312 HydrophobicContact CG-CG2 3.85Å; P309-V312 WeakPolarHBondContact O-CA 3.38Å; P309-V312 WeakPolarHBondContact O-CB 3.48Å; P309-V312 PolarHBondContact O-N 3Å; E310-V312 PolarHBondContact O-N 3.04Å; V312-N314 VanDerWaalsContact C-N 3.29Å; V312-N314 PolarHBondContact O-N 3.43Å; V312-S315 PolarHBondContact O-N 2.72Å; V312-S315 PolarHBondContact O-OG 3.48Å; V312-H316 PolarHBondContact O-CE1 3.28Å; V312-H316 PolarHBondContact O-ND1 3.39Å
313I94.4Very high92.7Very high20 Ų2082.2 Ų82.210%0.10344%0.439CS..Hα-helixtrans-55.1-45.8176.6-62.3172.6000110.9R298 H299 C300 C303 E304 E308 P309 E310 S315R298-I313 VanDerWaalsContact O-O 3.1Å; H299-I313 CarbonylContact C-O 3.54Å; H299-I313 WeakPolarHBondContact CA-O 3.42Å; H299-I313 WeakPolarHBondContact ND1-CG2 3.28Å; C300-I313 PolarHBondContact N-O 3.48Å; C303-I313 HydrophobicContact CB-CG1 4.18Å; E304-I313 HydrophobicContact CB-CD1 4.06Å; E304-I313 HydrophobicContact CB-CG1 4.37Å; E304-I313 HydrophobicContact CB-CG2 4.08Å; E304-I313 HydrophobicContact CG-CD1 4.41Å; E308-I313 HydrophobicContact CB-CG1 4.46Å; E308-I313 WeakPolarHBondContact O-CD1 3.47Å; P309-I313 PolarHBondContact O-N 3.45Å; P309-I313 VanDerWaalsContact O-N 3.08Å; E310-I313 PolarHBondContact O-N 3.28Å; I313-S315 PolarHBondContact O-N 3.1Å
314N93.3Very high92.6Very high75 Ų7587.6 Ų87.640%0.40146%0.46SS..THydrogen-bonded Turntrans-90.310.8-175.4-67.3-25.3000114.3R298 E310 V312R298-N314 CarbonylContact O-C 2.9Å; R298-N314 WeakPolarHBondContact O-CA 3.32Å; R298-N314 VanDerWaalsContact O-O 3.14Å; E310-N314 VanDerWaalsContact CG-ND2 3.31Å; E310-N314 WeakPolarHBondContact CG-ND2 3.42Å; E310-N314 WeakPolarHBondContact O-CB 3.46Å; E310-N314 PolarHBondContact O-N 3.26Å; E310-N314 PolarHBondContact OE1-ND2 3.15Å; V312-N314 VanDerWaalsContact C-N 3.29Å; V312-N314 PolarHBondContact O-N 3.43Å
315S91.2Very high92.6Very high61 Ų6183.1 Ų83.143%0.42744%0.439SS..THydrogen-bonded Turntrans-89.5-26.2179.364.80000114.7R298 A311 V312 I313R298-S315 PolarHBondContact O-N 2.82Å; A311-S315 WeakPolarHBondContact O-CB 3.4Å; V312-S315 PolarHBondContact O-N 2.72Å; V312-S315 PolarHBondContact O-OG 3.48Å; I313-S315 PolarHBondContact O-N 3.1Å
316H92.6Very high92.6Very high23 Ų2380.3 Ų80.311%0.10642%0.423CS..  trans-152.8156.5-171.561.8-83.4000112.1R298 H299 C300 V312 C327R298-H316 CarbonylContact C-O 3.19Å; R298-H316 CarbonylContact O-C 3.31Å; R298-H316 VanDerWaalsContact O-C 3.31Å; R298-H316 PolarHBondContact O-N 2.87Å; H299-H316 CarbonylContact C-O 3.19Å; C300-H316 WeakPolarHBondContact CB-NE2 3.37Å; C300-H316 VanDerWaalsContact CB-O 3.26Å; C300-H316 WeakPolarHBondContact CB-O 3.47Å; C300-H316 PolarHBondContact N-O 2.94Å; C300-H316 VanDerWaalsContact N-O 3.17Å; C300-H316 PolarHBondContact SG-NE2 3.5Å; V312-H316 PolarHBondContact O-CE1 3.28Å; V312-H316 PolarHBondContact O-ND1 3.39Å; H316-C327 VanDerWaalsContact CD2-CA 3.42Å; H316-C327 WeakPolarHBondContact CD2-CA 3.37Å; H316-C327 PolarHBondContact NE2-SG 3.38Å
317S94.1Very high92.7Very high42 Ų4276.4 Ų76.429%0.29440%0.403SS..  trans-86.7161.9166.855.90000111.1R319 L326S317-R319 VanDerWaalsContact C-N 3.35Å; S317-R319 PolarHBondContact O-N 3.42Å; S317-R319 PolarHBondContact OG-O 2.87Å; S317-L326 WeakPolarHBondContact O-CB 3.27Å
318V93.9Very high92.7Very high37 Ų3772.9 Ų72.922%0.22439%0.388CS..SBendtrans-61.9-43.5175.7-173.30000111.3V301 F302 L326 C327 L330V301-V318 HydrophobicContact CB-CG2 4.22Å; F302-V318 HydrophobicContact CB-CG1 4.43Å; F302-V318 HydrophobicContact CB-CG2 4.3Å; V318-L326 PolarHBondContact O-N 3.37Å; V318-C327 PolarHBondContact O-N 2.94Å; V318-L330 HydrophobicContact CG1-CD2 4.27Å
319R93.1Very high92.7Very high133 Ų13375.5 Ų75.550%0.50240%0.398SS..BIsolated β-bridgetrans-131.6157.8179.7-65.9-175.7-178.2178.10.4112.3S317 R324S317-R319 VanDerWaalsContact C-N 3.35Å; S317-R319 PolarHBondContact O-N 3.42Å; S317-R319 PolarHBondContact OG-O 2.87Å; R319-R324 CarbonylContact C-O 3.53Å; R319-R324 VanDerWaalsContact CA-O 3.22Å; R319-R324 WeakPolarHBondContact CA-O 3.41Å
320D91.2Very high92.8Very high37 Ų3772.3 Ų72.320%0.19838%0.377CS..  trans-84.7167.6174.6-1656.1000112.1F322 N323 R324 L326D320-F322 PolarHBondContact O-N 3.23Å; D320-F322 VanDerWaalsContact O-N 3.15Å; D320-F322 WeakPolarHBondContact OD2-CD2 3.34Å; D320-N323 PolarHBondContact O-N 2.94Å; D320-R324 HydrophobicContact CB-CB 4.38Å; D320-R324 PolarHBondContact N-O 3.3Å; D320-R324 IonicContact OD2-CZ 3.41Å; D320-R324 IonicContact OD2-NE 3.84Å; D320-R324 PolarHBondContact OD2-NE 3.5Å; D320-R324 IonicContact OD2-NH2 3.45Å; D320-R324 PolarHBondContact OD2-NH2 2.98Å; D320-L326 HydrophobicContact CB-CD1 3.72Å; D320-L326 HydrophobicContact CB-CD2 4.25Å; D320-L326 HydrophobicContact CB-CG 3.81Å
321N90.9Very high93Very high159 Ų15969.3 Ų69.385%0.8536%0.359SS*.THydrogen-bonded Turntrans-56.8-26.1169.5-67.6106.8000112.9N323N321-N323 VanDerWaalsContact C-N 3.3Å; N321-N323 PolarHBondContact O-N 2.98Å
322F88.9Confident93.2Very high160 Ų16070.5 Ų70.570%0.70236%0.358SS*.THydrogen-bonded Turntrans-87.817.1174.8-60.8-79.5000113.8D320 R324D320-F322 PolarHBondContact O-N 3.23Å; D320-F322 VanDerWaalsContact O-N 3.15Å; D320-F322 WeakPolarHBondContact OD2-CD2 3.34Å; F322-R324 HydrophobicContact CB-CG 4.38Å; F322-R324 PolarHBondContact O-N 3.3Å
323N89.7Confident93.4Very high122 Ų12272.4 Ų72.465%0.65236%0.361SS*.SBendtrans60.12.8-176.9-83.6-59.2000117D320 N321D320-N323 PolarHBondContact O-N 2.94Å; N321-N323 VanDerWaalsContact C-N 3.3Å; N321-N323 PolarHBondContact O-N 2.98Å
324R92.9Very high93.5Very high114 Ų11475.5 Ų75.543%0.4338%0.38SS..  trans-68.6145.2173-58.1178.4-64.1-175.21111.1R319 D320 F322 L326 D343R319-R324 CarbonylContact C-O 3.53Å; R319-R324 VanDerWaalsContact CA-O 3.22Å; R319-R324 WeakPolarHBondContact CA-O 3.41Å; D320-R324 HydrophobicContact CB-CB 4.38Å; D320-R324 PolarHBondContact N-O 3.3Å; D320-R324 IonicContact OD2-CZ 3.41Å; D320-R324 IonicContact OD2-NE 3.84Å; D320-R324 PolarHBondContact OD2-NE 3.5Å; D320-R324 IonicContact OD2-NH2 3.45Å; D320-R324 PolarHBondContact OD2-NH2 2.98Å; F322-R324 HydrophobicContact CB-CG 4.38Å; F322-R324 PolarHBondContact O-N 3.3Å; R324-L326 PolarHBondContact O-N 3.08Å; R324-D343 HydrophobicContact CB-CB 4.33Å; R324-D343 HydrophobicContact CG-CB 4.41Å
325V95.6Very high93.7Very high2 Ų272 Ų721%0.01236%0.362CS..BIsolated β-bridgetrans-70.3123.2173.7-179.10000110.9C327 L330 R331 D343 A345V325-C327 HydrophobicContact CG1-CB 4.39Å; V325-L330 HydrophobicContact CG1-CB 3.86Å; V325-L330 HydrophobicContact CG1-CD2 3.8Å; V325-L330 HydrophobicContact CG1-CG 3.86Å; V325-L330 HydrophobicContact CG2-CD2 4.34Å; V325-R331 HydrophobicContact CB-CG 4.24Å; V325-R331 HydrophobicContact CG1-CG 3.89Å; V325-R331 WeakPolarHBondContact O-CD 3.43Å; V325-R331 PolarHBondContact O-NH1 3.32Å; V325-D343 PolarHBondContact N-O 3.16Å; V325-A345 HydrophobicContact CG2-CB 4.47Å; V325-A345 VanDerWaalsContact CG2-O 3.27Å; V325-A345 WeakPolarHBondContact CG2-O 3.32Å
326L94.8Very high93.9Very high69 Ų6974.2 Ų74.236%0.36138%0.375SS..  trans-96-26.8174.7-74.4174.4000112.9S317 V318 D320 R324 P328S317-L326 WeakPolarHBondContact O-CB 3.27Å; V318-L326 PolarHBondContact O-N 3.37Å; D320-L326 HydrophobicContact CB-CD1 3.72Å; D320-L326 HydrophobicContact CB-CD2 4.25Å; D320-L326 HydrophobicContact CB-CG 3.81Å; R324-L326 PolarHBondContact O-N 3.08Å; L326-P328 WeakPolarHBondContact O-CD 3.47Å
327C95.3Very high94.1Very high0 Ų080.5 Ų80.50%041%0.408CS..  trans-61.9117.5-177.8177.10000112.2C303 H316 V318 V325 K329 L330 R331C303-C327 VanDerWaalsContact SG-SG 3.65Å; H316-C327 VanDerWaalsContact CD2-CA 3.42Å; H316-C327 WeakPolarHBondContact CD2-CA 3.37Å; H316-C327 PolarHBondContact NE2-SG 3.38Å; V318-C327 PolarHBondContact O-N 2.94Å; V325-C327 HydrophobicContact CG1-CB 4.39Å; C327-K329 VanDerWaalsContact C-N 3.3Å; C327-K329 PolarHBondContact O-N 3.02Å; C327-L330 HydrophobicContact CB-CB 4.01Å; C327-L330 PolarHBondContact O-N 3.29Å; C327-R331 VanDerWaalsContact O-CG 3.29Å; C327-R331 WeakPolarHBondContact O-CG 3.47Å; C327-R331 PolarHBondContact O-N 3.43Å
328P94.5Very high94.2Very high75 Ų7582.3 Ų82.349%0.48742%0.419SS..Hα-helixtrans-63.5-34.8-175.624.7-33.3000112.5L326 R331 T332L326-P328 WeakPolarHBondContact O-CD 3.47Å; P328-R331 PolarHBondContact O-N 2.95Å; P328-T332 PolarHBondContact O-N 2.92Å; P328-T332 VanDerWaalsContact O-N 3.11Å; P328-T332 PolarHBondContact O-OG1 3.31Å
329K94.1Very high94.2Very high104 Ų10482.8 Ų82.845%0.45243%0.432SS..Hα-helixtrans-64.6-46.2176-67.6-73.8176.4122.80111.7F302 E308 C327 T332 Y333F302-K329 HydrophobicContact CD1-CB 4.45Å; F302-K329 HydrophobicContact CE1-CB 4.01Å; E308-K329 VanDerWaalsContact OE1-CE 3.25Å; E308-K329 WeakPolarHBondContact OE1-CE 3.41Å; E308-K329 IonicContact OE1-NZ 3.42Å; E308-K329 PolarHBondContact OE1-NZ 3.22Å; E308-K329 IonicContact OE2-NZ 2.71Å; C327-K329 VanDerWaalsContact C-N 3.3Å; C327-K329 PolarHBondContact O-N 3.02Å; K329-T332 PolarHBondContact O-N 3.38Å; K329-T332 PolarHBondContact O-OG1 2.87Å; K329-Y333 PolarHBondContact O-N 3.49Å
330L95.2Very high94.3Very high11 Ų1177.4 Ų77.46%0.05842%0.416CS..Hα-helixtrans-67.7-38.6176.3-17357000111.2F302 V318 V325 C327 T332 Y333 A345 T347F302-L330 HydrophobicContact CD1-CB 4.04Å; F302-L330 HydrophobicContact CD2-CD1 4.49Å; F302-L330 HydrophobicContact CE1-CB 3.96Å; F302-L330 HydrophobicContact CE1-CD1 4.5Å; F302-L330 HydrophobicContact CE2-CD1 4.01Å; F302-L330 HydrophobicContact CG-CB 4.45Å; F302-L330 HydrophobicContact CZ-CB 4.32Å; F302-L330 HydrophobicContact CZ-CD1 4Å; V318-L330 HydrophobicContact CG1-CD2 4.27Å; V325-L330 HydrophobicContact CG1-CB 3.86Å; V325-L330 HydrophobicContact CG1-CD2 3.8Å; V325-L330 HydrophobicContact CG1-CG 3.86Å; V325-L330 HydrophobicContact CG2-CD2 4.34Å; C327-L330 HydrophobicContact CB-CB 4.01Å; C327-L330 PolarHBondContact O-N 3.29Å; L330-T332 VanDerWaalsContact C-N 3.26Å; L330-T332 PolarHBondContact O-N 2.94Å; L330-Y333 VanDerWaalsContact O-CB 3.28Å; L330-Y333 WeakPolarHBondContact O-CB 3.41Å; L330-Y333 PolarHBondContact O-N 3.47Å; L330-A345 HydrophobicContact CG-CB 4.24Å; L330-A345 WeakPolarHBondContact O-CB 3.46Å; L330-T347 HydrophobicContact CD1-CG2 3.99Å
331R96.1Very high94.5Very high79 Ų7977.7 Ų77.730%0.29842%0.42SS..Hα-helixtrans-59-32.9174.7-71.1179.476.388.76.4113.4V325 C327 P328 Y333 S341 G342 D343V325-R331 HydrophobicContact CB-CG 4.24Å; V325-R331 HydrophobicContact CG1-CG 3.89Å; V325-R331 WeakPolarHBondContact O-CD 3.43Å; V325-R331 PolarHBondContact O-NH1 3.32Å; C327-R331 VanDerWaalsContact O-CG 3.29Å; C327-R331 WeakPolarHBondContact O-CG 3.47Å; C327-R331 PolarHBondContact O-N 3.43Å; P328-R331 PolarHBondContact O-N 2.95Å; R331-Y333 VanDerWaalsContact C-N 3.31Å; R331-S341 PolarHBondContact O-OG 3.08Å; R331-S341 VanDerWaalsContact O-OG 3.13Å; R331-G342 WeakPolarHBondContact O-CA 3.42Å; R331-G342 PolarHBondContact O-N 3.02Å; R331-D343 IonicContact CZ-OD1 2.98Å; R331-D343 IonicContact CZ-OD2 3.54Å; R331-D343 IonicContact NH1-OD1 2.66Å; R331-D343 PolarHBondContact NH1-OD1 2.82Å; R331-D343 IonicContact NH1-OD2 3.9Å; R331-D343 VanDerWaalsContact NH2-CG 3.33Å; R331-D343 IonicContact NH2-OD1 3.8Å; R331-D343 PolarHBondContact NH2-OD1 3.06Å; R331-D343 IonicContact NH2-OD2 3.28Å; R331-D343 PolarHBondContact NH2-OD2 3.32Å
332T94.4Very high94.7Very high111 Ų11171 Ų7168%0.68139%0.389SS*.THydrogen-bonded Turntrans-78.4-12175.648.90000114.1P328 K329 L330P328-T332 PolarHBondContact O-N 2.92Å; P328-T332 VanDerWaalsContact O-N 3.11Å; P328-T332 PolarHBondContact O-OG1 3.31Å; K329-T332 PolarHBondContact O-N 3.38Å; K329-T332 PolarHBondContact O-OG1 2.87Å; L330-T332 VanDerWaalsContact C-N 3.26Å; L330-T332 PolarHBondContact O-N 2.94Å
333Y95.3Very high95Very high86 Ų8666.9 Ų66.934%0.33738%0.375SS..  trans-73.3141.7174.4-172.7-104.2000110.4K329 L330 R331 C335 P336 S341 H346 T347K329-Y333 PolarHBondContact O-N 3.49Å; L330-Y333 VanDerWaalsContact O-CB 3.28Å; L330-Y333 WeakPolarHBondContact O-CB 3.41Å; L330-Y333 PolarHBondContact O-N 3.47Å; R331-Y333 VanDerWaalsContact C-N 3.31Å; Y333-C335 HydrophobicContact CE1-CB 4.41Å; Y333-P336 WeakPolarHBondContact OH-CD 3.42Å; Y333-S341 WeakPolarHBondContact O-CA 3.32Å; Y333-S341 VanDerWaalsContact O-CB 3.31Å; Y333-S341 WeakPolarHBondContact O-CB 3.47Å; Y333-S341 PolarHBondContact O-OG 2.98Å; Y333-H346 WeakPolarHBondContact CD1-O 3.46Å; Y333-H346 WeakPolarHBondContact CE1-O 3.26Å; Y333-T347 HydrophobicContact CE1-CG2 4.45Å
334V95.8Very high95.1Very high85 Ų8564.7 Ų64.752%0.51537%0.369SS..  trans-117.1116.2173.1-178.20000106.5P336V334-P336 WeakPolarHBondContact O-CD 3.07Å
335C97.3Very high95.2Very high3 Ų359.4 Ų59.42%0.0235%0.349CS..  trans-61.7123.1-179.3175.90000110.2Y333 I337 G339 A340 H346Y333-C335 HydrophobicContact CE1-CB 4.41Å; C335-I337 PolarHBondContact O-N 3.36Å; C335-G339 VanDerWaalsContact O-CA 3.28Å; C335-G339 WeakPolarHBondContact O-CA 3.35Å; C335-G339 PolarHBondContact O-N 3.34Å; C335-A340 PolarHBondContact N-O 2.8Å; C335-H346 PolarHBondContact SG-NE2 3.27Å
336P95.8Very high95.1Very high106 Ų10662.8 Ų62.869%0.68837%0.365SS*.THydrogen-bonded Turntrans-70.3-13.5-177.428.4-35.5000113.4Y333 V334Y333-P336 WeakPolarHBondContact OH-CD 3.42Å; V334-P336 WeakPolarHBondContact O-CD 3.07Å
337I96.8Very high95Very high156 Ų15665.2 Ų65.280%0.838%0.383SS*.THydrogen-bonded Turntrans-90.2-39.9-178.4-54.9174.9000111.3C335C335-I337 PolarHBondContact O-N 3.36Å
338C97Very high94.9Very high79 Ų7968.5 Ų68.553%0.53440%0.402SS..THydrogen-bonded Turntrans-128-4.4-172.671.10000115.5A340 H346C338-A340 PolarHBondContact O-N 3.17Å; C338-A340 VanDerWaalsContact SG-CB 3.51Å; C338-H346 PolarHBondContact SG-CE1 3.01Å; C338-H346 PolarHBondContact SG-NE2 2.99Å
339G94Very high95Very high47 Ų4768.2 Ų68.249%0.48540%0.397SS..  trans73.62.2-178.700000115.7C335C335-G339 VanDerWaalsContact O-CA 3.28Å; C335-G339 WeakPolarHBondContact O-CA 3.35Å; C335-G339 PolarHBondContact O-N 3.34Å
340A95.6Very high95Very high21 Ų2166.2 Ų66.217%0.17439%0.394CS..  trans-63.7140-179.900000112.3C335 C338C335-A340 PolarHBondContact N-O 2.8Å; C338-A340 PolarHBondContact O-N 3.17Å; C338-A340 VanDerWaalsContact SG-CB 3.51Å
341S95Very high95Very high42 Ų4269.4 Ų69.429%0.29441%0.414SS..  trans-156.5177-176.8-165.30000110.7R331 Y333 D343 S344R331-S341 PolarHBondContact O-OG 3.08Å; R331-S341 VanDerWaalsContact O-OG 3.13Å; Y333-S341 WeakPolarHBondContact O-CA 3.32Å; Y333-S341 VanDerWaalsContact O-CB 3.31Å; Y333-S341 WeakPolarHBondContact O-CB 3.47Å; Y333-S341 PolarHBondContact O-OG 2.98Å; S341-D343 PolarHBondContact O-N 3.49Å; S341-S344 PolarHBondContact O-N 3.02Å; S341-S344 PolarHBondContact O-OG 2.99Å
342G94.3Very high94.9Very high18 Ų1868.8 Ų68.819%0.18642%0.421CS..G310 helixtrans61.1-125.9-179.500000112.6R331 S344 A345R331-G342 WeakPolarHBondContact O-CA 3.42Å; R331-G342 PolarHBondContact O-N 3.02Å; G342-S344 PolarHBondContact O-N 3.23Å; G342-A345 WeakPolarHBondContact O-CB 3.38Å; G342-A345 PolarHBondContact O-N 2.82Å
343D94.6Very high95Very high75 Ų7566 Ų6640%0.40140%0.404SS..G310 helixtrans-61.8-24.7-177.6-65.9-75.1000114.4R324 V325 R331 S341R324-D343 HydrophobicContact CB-CB 4.33Å; R324-D343 HydrophobicContact CG-CB 4.41Å; V325-D343 PolarHBondContact N-O 3.16Å; R331-D343 IonicContact CZ-OD1 2.98Å; R331-D343 IonicContact CZ-OD2 3.54Å; R331-D343 IonicContact NH1-OD1 2.66Å; R331-D343 PolarHBondContact NH1-OD1 2.82Å; R331-D343 IonicContact NH1-OD2 3.9Å; R331-D343 VanDerWaalsContact NH2-CG 3.33Å; R331-D343 IonicContact NH2-OD1 3.8Å; R331-D343 PolarHBondContact NH2-OD1 3.06Å; R331-D343 IonicContact NH2-OD2 3.28Å; R331-D343 PolarHBondContact NH2-OD2 3.32Å; S341-D343 PolarHBondContact O-N 3.49Å
344S93.4Very high95Very high76 Ų7664.6 Ų64.653%0.53141%0.409SS..G310 helixtrans-105.99.1-179.162.10000114S341 G342 H346S341-S344 PolarHBondContact O-N 3.02Å; S341-S344 PolarHBondContact O-OG 2.99Å; G342-S344 PolarHBondContact O-N 3.23Å; S344-H346 PolarHBondContact O-ND1 2.82Å; S344-H346 VanDerWaalsContact O-ND1 3.15Å
345A94.7Very high94.9Very high2 Ų263 Ų632%0.01740%0.401CS..  trans-60141.8-177.100000112.9V325 L330 G342V325-A345 HydrophobicContact CG2-CB 4.47Å; V325-A345 VanDerWaalsContact CG2-O 3.27Å; V325-A345 WeakPolarHBondContact CG2-O 3.32Å; L330-A345 HydrophobicContact CG-CB 4.24Å; L330-A345 WeakPolarHBondContact O-CB 3.46Å; G342-A345 WeakPolarHBondContact O-CB 3.38Å; G342-A345 PolarHBondContact O-N 2.82Å
346H93.5Very high94.7Very high73 Ų7368 Ų6834%0.33843%0.432SS..  trans-154.2150.6173.955.4-87.7000108.6Y333 C335 C338 S344Y333-H346 WeakPolarHBondContact CD1-O 3.46Å; Y333-H346 WeakPolarHBondContact CE1-O 3.26Å; C335-H346 PolarHBondContact SG-NE2 3.27Å; C338-H346 PolarHBondContact SG-CE1 3.01Å; C338-H346 PolarHBondContact SG-NE2 2.99Å; S344-H346 PolarHBondContact O-ND1 2.82Å; S344-H346 VanDerWaalsContact O-ND1 3.15Å
347T91.6Very high94.6Very high121 Ų12164.5 Ų64.574%0.74241%0.409SS*.  trans-81.40168.852.60000110.6F302 L330 Y333F302-T347 HydrophobicContact CE2-CG2 3.79Å; F302-T347 HydrophobicContact CZ-CG2 4.3Å; L330-T347 HydrophobicContact CD1-CG2 3.99Å; Y333-T347 HydrophobicContact CE1-CG2 4.45Å

Retrieved 347 of 347 residues in 180.7 ms (Link to these results)